diff --git a/cmake/Modules/Packages/GPU.cmake b/cmake/Modules/Packages/GPU.cmake index aec8887c30..53b5f33b9b 100644 --- a/cmake/Modules/Packages/GPU.cmake +++ b/cmake/Modules/Packages/GPU.cmake @@ -347,6 +347,10 @@ elseif(GPU_API STREQUAL "HIP") target_link_libraries(gpu PRIVATE hip::host) if(HIP_USE_DEVICE_SORT) + if(HIP_PLATFORM STREQUAL "amd") + # newer version of ROCm (5.1+) require c++14 for rocprim + set_property(TARGET gpu PROPERTY CXX_STANDARD 14) + endif() # add hipCUB target_include_directories(gpu PRIVATE ${HIP_ROOT_DIR}/../include) target_compile_definitions(gpu PRIVATE -DUSE_HIP_DEVICE_SORT) diff --git a/cmake/presets/kokkos-sycl.cmake b/cmake/presets/kokkos-sycl.cmake new file mode 100644 index 0000000000..01abe7762f --- /dev/null +++ b/cmake/presets/kokkos-sycl.cmake @@ -0,0 +1,15 @@ +# preset that enables KOKKOS and selects SYCL compilation with OpenMP +# enabled as well. Also sets some performance related compiler flags. +set(PKG_KOKKOS ON CACHE BOOL "" FORCE) +set(Kokkos_ENABLE_SERIAL ON CACHE BOOL "" FORCE) +set(Kokkos_ENABLE_OPENMP ON CACHE BOOL "" FORCE) +set(Kokkos_ENABLE_CUDA OFF CACHE BOOL "" FORCE) +set(Kokkos_ENABLE_SYCL ON CACHE BOOL "" FORCE) +set(Kokkos_ARCH_MAXWELL50 on CACHE BOOL "" FORCE) +set(BUILD_OMP ON CACHE BOOL "" FORCE) + +set(CMAKE_CXX_COMPILER clang++ CACHE STRING "" FORCE) +set(MPI_CXX_COMPILER "mpicxx" CACHE STRING "" FORCE) +set(CMAKE_CXX_STANDARD 17 CACHE STRING "" FORCE) +set(CMAKE_SHARED_LINKER_FLAGS "-Xsycl-target-frontend -O3" CACHE STRING "" FORCE) +set(CMAKE_TUNE_FLAGS "-fgpu-inline-threshold=100000 -Xsycl-target-frontend -O3 -Xsycl-target-frontend -ffp-contract=on -Wno-unknown-cuda-version" CACHE STRING "" FORCE) diff --git a/doc/src/Build_extras.rst b/doc/src/Build_extras.rst index 9648df402f..f3af36c0bb 100644 --- a/doc/src/Build_extras.rst +++ b/doc/src/Build_extras.rst @@ -638,13 +638,14 @@ This list was last updated for version 3.5.0 of the Kokkos library. -D CMAKE_CXX_COMPILER=${HOME}/lammps/lib/kokkos/bin/nvcc_wrapper - To simplify compilation, three preset files are included in the + To simplify compilation, four preset files are included in the ``cmake/presets`` folder, ``kokkos-serial.cmake``, - ``kokkos-openmp.cmake``, and ``kokkos-cuda.cmake``. They will - enable the KOKKOS package and enable some hardware choice. So to - compile with OpenMP host parallelization, CUDA device - parallelization (for GPUs with CC 5.0 and up) with some common - packages enabled, you can do the following: + ``kokkos-openmp.cmake``, ``kokkos-cuda.cmake``, and + ``kokkos-sycl.cmake``. They will enable the KOKKOS package and + enable some hardware choice. So to compile with OpenMP host + parallelization, CUDA device parallelization (for GPUs with CC 5.0 + and up) with some common packages enabled, you can do the + following: .. code-block:: bash diff --git a/doc/src/Commands_compute.rst b/doc/src/Commands_compute.rst index 6ad5ed4435..6309fe83e2 100644 --- a/doc/src/Commands_compute.rst +++ b/doc/src/Commands_compute.rst @@ -63,6 +63,7 @@ KOKKOS, o = OPENMP, t = OPT. * :doc:`event/displace ` * :doc:`fabric ` * :doc:`fep ` + * :doc:`fep/ta ` * :doc:`force/tally ` * :doc:`fragment/atom ` * :doc:`global/atom ` diff --git a/doc/src/Commands_pair.rst b/doc/src/Commands_pair.rst index 7d8c5c31e8..7a1ed4ee72 100644 --- a/doc/src/Commands_pair.rst +++ b/doc/src/Commands_pair.rst @@ -88,12 +88,12 @@ OPT. * :doc:`coul/tt ` * :doc:`coul/wolf (ko) ` * :doc:`coul/wolf/cs ` - * :doc:`dpd (gio) ` + * :doc:`dpd (giko) ` * :doc:`dpd/fdt ` - * :doc:`dpd/ext ` - * :doc:`dpd/ext/tstat ` + * :doc:`dpd/ext (k) ` + * :doc:`dpd/ext/tstat (k) ` * :doc:`dpd/fdt/energy (k) ` - * :doc:`dpd/tstat (go) ` + * :doc:`dpd/tstat (gko) ` * :doc:`dsmc ` * :doc:`e3b ` * :doc:`drip ` diff --git a/doc/src/Howto_structured_data.rst b/doc/src/Howto_structured_data.rst index f18fda4a8c..b320e87279 100644 --- a/doc/src/Howto_structured_data.rst +++ b/doc/src/Howto_structured_data.rst @@ -82,7 +82,7 @@ This data can be extracted and parsed from a log file using python with: try: from yaml import CSafeLoader as Loader, CSafeDumper as Dumper except ImportError: - from yaml import SafeLoader, SafeDumper + from yaml import SafeLoader as Loader, SafeDumper as Dumper docs = "" with open("log.lammps") as f: diff --git a/doc/src/compute.rst b/doc/src/compute.rst index 2768543179..a149a752b0 100644 --- a/doc/src/compute.rst +++ b/doc/src/compute.rst @@ -208,7 +208,8 @@ The individual style names on the :doc:`Commands compute ` pag * :doc:`erotate/sphere/atom ` - rotational energy for each spherical particle * :doc:`event/displace ` - detect event on atom displacement * :doc:`fabric ` - calculates fabric tensors from pair interactions -* :doc:`fep ` - +* :doc:`fep ` - compute free energies for alchemical transformation from perturbation theory +* :doc:`fep/ta ` - compute free energies for a test area perturbation * :doc:`force/tally ` - force between two groups of atoms via the tally callback mechanism * :doc:`fragment/atom ` - fragment ID for each atom * :doc:`global/atom ` - diff --git a/doc/src/compute_fep_ta.rst b/doc/src/compute_fep_ta.rst new file mode 100644 index 0000000000..eeb4a10915 --- /dev/null +++ b/doc/src/compute_fep_ta.rst @@ -0,0 +1,99 @@ +.. index:: compute fep/ta + +compute fep/ta command +====================== + +Syntax +"""""" + +.. parsed-literal:: + + compute ID group-ID fep/ta temp plane scale_factor keyword value ... + +* ID, group-ID are documented in the :doc:`compute ` command +* fep/ta = name of this compute command +* temp = external temperature (as specified for constant-temperature run) +* plane = *xy* or *xz* or *yz* +* scale_factor = multiplicative factor for change in plane area +* zero or more keyword/value pairs may be appended +* keyword = *tail* + + .. parsed-literal:: + + *tail* value = *no* or *yes* + *no* = ignore tail correction to pair energies (usually small in fep) + *yes* = include tail correction to pair energies + +Examples +"""""""" + +.. code-block:: LAMMPS + + compute 1 all fep/ta 298 xy 1.0005 + +Description +""""""""""" + +Define a computation that calculates the change in the free energy due +to a test-area (TA) perturbation :ref:`(Gloor) `. The test-area +approach can be used to determine the interfacial tension of the system +in a single simulation: + +.. math:: + + \gamma = \lim_{\Delta \mathcal{A} \to 0} \left( \frac{\Delta A_{0 \to 1 }}{\Delta \mathcal{A}}\right)_{N,V,T} + = - \frac{kT}{\Delta \mathcal{A}} \ln \left< \exp(-(U_1 - U_0)/kT) \right>_0 + +During the perturbation, both axes of *plane* are scaled by multiplying +:math:`\sqrt{scale\_factor}`, while the other axis divided by +*scale_factor* such that the overall volume of the system is maintained. + +The *tail* keyword controls the calculation of the tail correction to +"van der Waals" pair energies beyond the cutoff, if this has been +activated via the :doc:`pair_modify ` command. If the +perturbation is small, the tail contribution to the energy difference +between the reference and perturbed systems should be negligible. + +---------- + +Output info +""""""""""" + +This compute calculates a global vector of length 3 which contains the +energy difference ( :math:`U_1-U_0` ) as c_ID[1], the Boltzmann factor +:math:`\exp(-(U_1-U_0)/kT)`, as c_ID[2] and the change in the *plane* +area :math:`\Delta \mathcal{A}` as c_ID[3]. :math:`U_1` is the potential +energy of the perturbed state and :math:`U_0` is the potential energy of +the reference state. The energies include kspace terms if these are +used in the simulation. + +These output results can be used by any command that uses a global +scalar or vector from a compute as input. See the :doc:`Howto output +` page for an overview of LAMMPS output options. For +example, the computed values can be averaged using :doc:`fix ave/time +`. + +Restrictions +"""""""""""" + +Constraints, like fix shake, may lead to incorrect values for energy difference. + +This compute is distributed as the FEP package. It is only enabled if +LAMMPS was built with that package. See the :doc:`Build package +` page for more info. + +Related commands +"""""""""""""""" + +:doc:`compute fep ` + +Default +""""""" + +The option defaults are *tail* = *no*\ . + +---------- + +.. _Gloor: + +**(Gloor)** Gloor, J Chem Phys, 123, 134703 (2005) diff --git a/doc/src/pair_dpd.rst b/doc/src/pair_dpd.rst index 8c61c789a6..5bc8cedaed 100644 --- a/doc/src/pair_dpd.rst +++ b/doc/src/pair_dpd.rst @@ -1,20 +1,22 @@ .. index:: pair_style dpd .. index:: pair_style dpd/gpu .. index:: pair_style dpd/intel +.. index:: pair_style dpd/kk .. index:: pair_style dpd/omp .. index:: pair_style dpd/tstat .. index:: pair_style dpd/tstat/gpu +.. index:: pair_style dpd/tstat/kk .. index:: pair_style dpd/tstat/omp pair_style dpd command ====================== -Accelerator Variants: *dpd/gpu*, *dpd/intel*, *dpd/omp* +Accelerator Variants: *dpd/gpu*, *dpd/intel*, *dpd/kk*, *dpd/omp* pair_style dpd/tstat command ============================ -Accelerator Variants: *dpd/tstat/gpu*, *dpd/tstat/omp* +Accelerator Variants: *dpd/tstat/gpu*, *dpd/tstat/kk*, *dpd/tstat/omp* Syntax """""" diff --git a/doc/src/pair_dpd_ext.rst b/doc/src/pair_dpd_ext.rst index 7512f8e688..88395f1c73 100644 --- a/doc/src/pair_dpd_ext.rst +++ b/doc/src/pair_dpd_ext.rst @@ -1,12 +1,18 @@ .. index:: pair_style dpd/ext +.. index:: pair_style dpd/ext/kk .. index:: pair_style dpd/ext/tstat +.. index:: pair_style dpd/ext/tstat/kk pair_style dpd/ext command ========================== +Accelerator Variants: dpd/ext/kk + pair_style dpd/ext/tstat command ================================ +Accelerator Variants: dpd/ext/tstat/kk + Syntax """""" @@ -137,6 +143,10 @@ except that A is not included. ---------- +.. include:: accel_styles.rst + +---------- + **Mixing, shift, table, tail correction, restart, rRESPA info**\ : diff --git a/doc/utils/sphinx-config/false_positives.txt b/doc/utils/sphinx-config/false_positives.txt index 1dd2354141..770d2a3791 100644 --- a/doc/utils/sphinx-config/false_positives.txt +++ b/doc/utils/sphinx-config/false_positives.txt @@ -1180,6 +1180,7 @@ Gladky gld gle globbing +Gloor Glosli Glotzer gmail @@ -1428,6 +1429,7 @@ interal interatomic Interatomic interconvert +interfacial interial interlayer intermolecular diff --git a/examples/PACKAGES/dpd-basic/README b/examples/PACKAGES/dpd-basic/README index 43d66c4bd3..aec19f4fcb 100644 --- a/examples/PACKAGES/dpd-basic/README +++ b/examples/PACKAGES/dpd-basic/README @@ -1,10 +1,16 @@ -Examples for Extended Dissipative Particle Dynamics (DPD) ---------------------------------------------------------- -This directory contains examples for extended DPD simulations +Examples for Basic Dissipative Particle Dynamics (DPD) +------------------------------------------------------ +This directory contains examples for DPD simulations using +pair styles from the DPD-BASIC package. -1) 'dpdext' - test case (DPD fluid) for 'dpdext' pair style (in.dpdext) and an initial - configuration (dpdext.data) +1) 'dpd' - simple example (DPD fluid) for 'dpd' pair style (in.dpd) -2) 'dpdext_tstat' - test case (coarse-grained SPC/E water) for 'dpdext/tstat' pair style - (in.cg_spce), an initial configuration (dpdext.data) and tabulated potential +2) 'dpd_tstat' - coarse-grained SPC/E water example for 'dpd/tstat' pair style + (in.dpd_tstat), an initial configuration (dpdext.data) and tabulated potential + (cg_spce_table.pot) obtained by bottom-up coarse-graining of the atomistic SPC/E water. + +3) 'dpdext' - simple example (DPD fluid) for 'dpd/ext' pair style (in.dpdext) + +4) 'dpdext_tstat' - coarse-grained SPC/E water example for 'dpd/ext/tstat' pair style + (in.dpdext_tstat), an initial configuration (dpdext.data) and tabulated potential (cg_spce_table.pot) obtained by bottom-up coarse-graining of the atomistic SPC/E water. diff --git a/examples/PACKAGES/dpd-basic/dpd/in.dpd b/examples/PACKAGES/dpd-basic/dpd/in.dpd new file mode 100644 index 0000000000..14612e49a2 --- /dev/null +++ b/examples/PACKAGES/dpd-basic/dpd/in.dpd @@ -0,0 +1,43 @@ +# DPD Fluid + +variable T equal 1.0 +variable rc equal 1.0 +variable rcD equal 1.2 + +units lj +boundary p p p +atom_style atomic +dimension 3 +newton on +comm_modify vel yes + +### create box and configuration +variable L equal 5.0 +lattice fcc 3.0 +region simBox block 0 ${L} 0 ${L} 0 ${L} +create_box 2 simBox +#create_atoms 1 region simBox +create_atoms 1 random 100 12456 simBox +create_atoms 2 random 100 13245 simBox +mass 1 1.0 +mass 2 2.0 +### + +pair_style dpd ${T} ${rc} 3854262 + +pair_coeff 1 1 25.0 4.5 1.2 +pair_coeff 1 2 25.1 4.51 1.21 +pair_coeff 2 2 25.2 4.52 1.22 + +timestep 0.01 +run_style verlet + +velocity all create ${T} 68768932 + +thermo_style custom step time temp press +thermo 100 + +fix 1 all nve + +run 5000 + diff --git a/examples/PACKAGES/dpd-basic/dpd/log.5Apr22.dpd.g++.1 b/examples/PACKAGES/dpd-basic/dpd/log.5Apr22.dpd.g++.1 new file mode 100644 index 0000000000..4d514c90a6 --- /dev/null +++ b/examples/PACKAGES/dpd-basic/dpd/log.5Apr22.dpd.g++.1 @@ -0,0 +1,154 @@ +LAMMPS (24 Mar 2022) +OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) + using 1 OpenMP thread(s) per MPI task +# DPD Fluid + +variable T equal 1.0 +variable rc equal 1.0 +variable rcD equal 1.2 + +units lj +boundary p p p +atom_style atomic +dimension 3 +newton on +comm_modify vel yes + +### create box and configuration +variable L equal 5.0 +lattice fcc 3.0 +Lattice spacing in x,y,z = 1.1006424 1.1006424 1.1006424 +region simBox block 0 ${L} 0 ${L} 0 ${L} +region simBox block 0 5 0 ${L} 0 ${L} +region simBox block 0 5 0 5 0 ${L} +region simBox block 0 5 0 5 0 5 +create_box 2 simBox +Created orthogonal box = (0 0 0) to (5.5032121 5.5032121 5.5032121) + 1 by 1 by 1 MPI processor grid +#create_atoms 1 region simBox +create_atoms 1 random 100 12456 simBox +Created 100 atoms + using lattice units in orthogonal box = (0 0 0) to (5.5032121 5.5032121 5.5032121) + create_atoms CPU = 0.000 seconds +create_atoms 2 random 100 13245 simBox +Created 100 atoms + using lattice units in orthogonal box = (0 0 0) to (5.5032121 5.5032121 5.5032121) + create_atoms CPU = 0.000 seconds +mass 1 1.0 +mass 2 2.0 +### + +pair_style dpd ${T} ${rc} 3854262 +pair_style dpd 1 ${rc} 3854262 +pair_style dpd 1 1 3854262 + +pair_coeff 1 1 25.0 4.5 1.2 +pair_coeff 1 2 25.1 4.51 1.21 +pair_coeff 2 2 25.2 4.52 1.22 + +timestep 0.01 +run_style verlet + +velocity all create ${T} 68768932 +velocity all create 1 68768932 + +thermo_style custom step time temp press +thermo 100 + +fix 1 all nve + +run 5000 + generated 0 of 1 mixed pair_coeff terms from geometric mixing rule +Neighbor list info ... + update every 1 steps, delay 10 steps, check yes + max neighbors/atom: 2000, page size: 100000 + master list distance cutoff = 1.52 + ghost atom cutoff = 1.52 + binsize = 0.76, bins = 8 8 8 + 1 neighbor lists, perpetual/occasional/extra = 1 0 0 + (1) pair dpd, perpetual + attributes: half, newton on + pair build: half/bin/atomonly/newton + stencil: half/bin/3d + bin: standard +Per MPI rank memory allocation (min/avg/max) = 3.083 | 3.083 | 3.083 Mbytes + Step Time Temp Press + 0 0 1 9.5226009 + 100 1 1.9913643 9.2036029 + 200 2 1.6321732 9.2787957 + 300 3 1.3533438 8.3081433 + 400 4 1.2125884 8.0809065 + 500 5 1.0682216 8.0877925 + 600 6 0.99100473 8.1100319 + 700 7 0.99731243 7.8225195 + 800 8 1.0597693 7.8368218 + 900 9 0.99038588 7.9450569 + 1000 10 1.077129 7.5857015 + 1100 11 0.99070336 7.5138128 + 1200 12 1.013894 7.2794857 + 1300 13 1.0433203 7.7439871 + 1400 14 1.0285528 7.5662235 + 1500 15 0.99180601 7.8376313 + 1600 16 0.98059071 8.0243735 + 1700 17 1.0070947 8.3186893 + 1800 18 0.99507569 7.0786393 + 1900 19 1.0040168 7.8120389 + 2000 20 0.98636164 7.472185 + 2100 21 0.95811165 7.7085985 + 2200 22 0.93568327 6.9424246 + 2300 23 0.92804144 8.1239435 + 2400 24 0.94940276 7.6108611 + 2500 25 1.0535153 8.0772721 + 2600 26 1.0902144 7.5609768 + 2700 27 1.0737336 7.8706755 + 2800 28 0.93074581 7.3699993 + 2900 29 1.0440705 7.6454988 + 3000 30 0.93868164 7.841168 + 3100 31 1.0172025 7.6856163 + 3200 32 1.0405368 7.5325735 + 3300 33 0.96721201 7.8262809 + 3400 34 0.90430758 7.1693921 + 3500 35 0.89938433 7.865845 + 3600 36 0.9907178 7.3462971 + 3700 37 1.0311879 7.8876401 + 3800 38 0.98339132 7.3413929 + 3900 39 1.2111264 8.0968408 + 4000 40 1.062489 7.7315959 + 4100 41 0.94737492 7.3386028 + 4200 42 1.0453816 8.2017304 + 4300 43 0.97024897 7.7379624 + 4400 44 0.9553861 7.8047635 + 4500 45 1.043252 7.7486215 + 4600 46 0.98611474 8.1237053 + 4700 47 0.98624285 8.5801642 + 4800 48 0.97176754 7.1540299 + 4900 49 1.0165401 7.3853841 + 5000 50 0.88359115 7.5541592 +Loop time of 0.359916 on 1 procs for 5000 steps with 200 atoms + +Performance: 12002788.048 tau/day, 13892.116 timesteps/s +99.5% CPU use with 1 MPI tasks x 1 OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 0.24932 | 0.24932 | 0.24932 | 0.0 | 69.27 +Neigh | 0.068726 | 0.068726 | 0.068726 | 0.0 | 19.10 +Comm | 0.028691 | 0.028691 | 0.028691 | 0.0 | 7.97 +Output | 0.00066318 | 0.00066318 | 0.00066318 | 0.0 | 0.18 +Modify | 0.0078062 | 0.0078062 | 0.0078062 | 0.0 | 2.17 +Other | | 0.004713 | | | 1.31 + +Nlocal: 200 ave 200 max 200 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Nghost: 546 ave 546 max 546 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Neighs: 1649 ave 1649 max 1649 min +Histogram: 1 0 0 0 0 0 0 0 0 0 + +Total # of neighbors = 1649 +Ave neighs/atom = 8.245 +Neighbor list builds = 500 +Dangerous builds = 500 + +Total wall time: 0:00:00 diff --git a/examples/PACKAGES/dpd-basic/dpd/log.5Apr22.dpd.g++.4 b/examples/PACKAGES/dpd-basic/dpd/log.5Apr22.dpd.g++.4 new file mode 100644 index 0000000000..69f849b9d7 --- /dev/null +++ b/examples/PACKAGES/dpd-basic/dpd/log.5Apr22.dpd.g++.4 @@ -0,0 +1,154 @@ +LAMMPS (24 Mar 2022) +OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) + using 1 OpenMP thread(s) per MPI task +# DPD Fluid + +variable T equal 1.0 +variable rc equal 1.0 +variable rcD equal 1.2 + +units lj +boundary p p p +atom_style atomic +dimension 3 +newton on +comm_modify vel yes + +### create box and configuration +variable L equal 5.0 +lattice fcc 3.0 +Lattice spacing in x,y,z = 1.1006424 1.1006424 1.1006424 +region simBox block 0 ${L} 0 ${L} 0 ${L} +region simBox block 0 5 0 ${L} 0 ${L} +region simBox block 0 5 0 5 0 ${L} +region simBox block 0 5 0 5 0 5 +create_box 2 simBox +Created orthogonal box = (0 0 0) to (5.5032121 5.5032121 5.5032121) + 1 by 2 by 2 MPI processor grid +#create_atoms 1 region simBox +create_atoms 1 random 100 12456 simBox +Created 100 atoms + using lattice units in orthogonal box = (0 0 0) to (5.5032121 5.5032121 5.5032121) + create_atoms CPU = 0.000 seconds +create_atoms 2 random 100 13245 simBox +Created 100 atoms + using lattice units in orthogonal box = (0 0 0) to (5.5032121 5.5032121 5.5032121) + create_atoms CPU = 0.000 seconds +mass 1 1.0 +mass 2 2.0 +### + +pair_style dpd ${T} ${rc} 3854262 +pair_style dpd 1 ${rc} 3854262 +pair_style dpd 1 1 3854262 + +pair_coeff 1 1 25.0 4.5 1.2 +pair_coeff 1 2 25.1 4.51 1.21 +pair_coeff 2 2 25.2 4.52 1.22 + +timestep 0.01 +run_style verlet + +velocity all create ${T} 68768932 +velocity all create 1 68768932 + +thermo_style custom step time temp press +thermo 100 + +fix 1 all nve + +run 5000 + generated 0 of 1 mixed pair_coeff terms from geometric mixing rule +Neighbor list info ... + update every 1 steps, delay 10 steps, check yes + max neighbors/atom: 2000, page size: 100000 + master list distance cutoff = 1.52 + ghost atom cutoff = 1.52 + binsize = 0.76, bins = 8 8 8 + 1 neighbor lists, perpetual/occasional/extra = 1 0 0 + (1) pair dpd, perpetual + attributes: half, newton on + pair build: half/bin/atomonly/newton + stencil: half/bin/3d + bin: standard +Per MPI rank memory allocation (min/avg/max) = 3.064 | 3.064 | 3.064 Mbytes + Step Time Temp Press + 0 0 1 8.603339 + 100 1 1.8691059 8.9058297 + 200 2 1.4500635 8.7420141 + 300 3 1.3089453 8.3985981 + 400 4 1.1647803 8.2948808 + 500 5 1.1399445 7.7421817 + 600 6 1.0297918 7.2040397 + 700 7 1.046713 7.6115758 + 800 8 0.93523712 7.6885563 + 900 9 0.94701493 7.9662712 + 1000 10 0.99302416 7.7606189 + 1100 11 0.98975674 7.5207427 + 1200 12 0.98661662 7.3565222 + 1300 13 1.0289377 7.6110453 + 1400 14 0.9982501 7.8065701 + 1500 15 1.0043888 7.3957185 + 1600 16 1.0175816 7.7885955 + 1700 17 1.0252117 7.5076258 + 1800 18 1.0275139 8.1052823 + 1900 19 1.0021054 7.0385989 + 2000 20 1.0489009 7.7138149 + 2100 21 0.91250488 7.3540839 + 2200 22 0.92470996 7.9600233 + 2300 23 0.96932725 7.3106045 + 2400 24 0.93443088 7.4594635 + 2500 25 0.95596038 7.2544715 + 2600 26 1.0368594 7.6229263 + 2700 27 0.94639332 7.4869636 + 2800 28 0.99917354 7.9806636 + 2900 29 0.95048071 7.0086404 + 3000 30 0.95226181 7.7807205 + 3100 31 0.95864429 7.8059442 + 3200 32 0.85678761 7.3416027 + 3300 33 0.95951096 7.3467158 + 3400 34 0.97665772 8.2900991 + 3500 35 0.92885927 7.5385993 + 3600 36 1.0455015 8.0627999 + 3700 37 0.91911809 8.0371736 + 3800 38 0.92022241 7.5803999 + 3900 39 1.0465522 7.6920189 + 4000 40 0.98568475 7.4529825 + 4100 41 1.0389372 7.2273346 + 4200 42 1.0257545 7.6081878 + 4300 43 1.0937573 8.2158237 + 4400 44 1.0908817 7.5021567 + 4500 45 1.0482874 7.5924368 + 4600 46 1.1468439 8.0285157 + 4700 47 1.119683 8.3365123 + 4800 48 1.0963877 7.51772 + 4900 49 1.0766762 7.3137035 + 5000 50 1.0359203 7.7354572 +Loop time of 0.148597 on 4 procs for 5000 steps with 200 atoms + +Performance: 29071936.422 tau/day, 33648.075 timesteps/s +98.8% CPU use with 4 MPI tasks x 1 OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 0.059602 | 0.063397 | 0.068622 | 1.3 | 42.66 +Neigh | 0.017747 | 0.018193 | 0.018698 | 0.3 | 12.24 +Comm | 0.055145 | 0.061014 | 0.065369 | 1.5 | 41.06 +Output | 0.00042708 | 0.00050725 | 0.00071024 | 0.0 | 0.34 +Modify | 0.0023494 | 0.002532 | 0.0026434 | 0.2 | 1.70 +Other | | 0.002953 | | | 1.99 + +Nlocal: 50 ave 52 max 48 min +Histogram: 1 0 1 0 0 0 0 1 0 1 +Nghost: 292.75 ave 299 max 287 min +Histogram: 1 0 1 0 0 0 1 0 0 1 +Neighs: 413.5 ave 441 max 399 min +Histogram: 2 0 0 1 0 0 0 0 0 1 + +Total # of neighbors = 1654 +Ave neighs/atom = 8.27 +Neighbor list builds = 500 +Dangerous builds = 500 + +Total wall time: 0:00:00 diff --git a/examples/PACKAGES/dpd-basic/dpdext/dpdext.data b/examples/PACKAGES/dpd-basic/dpd_tstat/cg_spce.data similarity index 99% rename from examples/PACKAGES/dpd-basic/dpdext/dpdext.data rename to examples/PACKAGES/dpd-basic/dpd_tstat/cg_spce.data index dddbf6ad6c..d487e2c73c 100644 --- a/examples/PACKAGES/dpd-basic/dpdext/dpdext.data +++ b/examples/PACKAGES/dpd-basic/dpd_tstat/cg_spce.data @@ -1,4 +1,4 @@ - DPD Fluid + Coarse-Grained SPC/E Water 2180 atoms diff --git a/examples/PACKAGES/dpd-basic/dpd_tstat/cg_spce_table.pot b/examples/PACKAGES/dpd-basic/dpd_tstat/cg_spce_table.pot new file mode 100644 index 0000000000..853ff4bec0 --- /dev/null +++ b/examples/PACKAGES/dpd-basic/dpd_tstat/cg_spce_table.pot @@ -0,0 +1,354 @@ +VOTCA +N 351 R 2.0 9.0 + +1 2.000000E+00 2.190202E+01 7.229762E+01 +2 2.020000E+00 2.048957E+01 6.887333E+01 +3 2.040000E+00 1.915004E+01 6.500604E+01 +4 2.060000E+00 1.789228E+01 6.069573E+01 +5 2.080000E+00 1.672516E+01 5.594242E+01 +6 2.100000E+00 1.565754E+01 5.074609E+01 +7 2.120000E+00 1.467088E+01 4.787307E+01 +8 2.140000E+00 1.374450E+01 4.471740E+01 +9 2.160000E+00 1.288407E+01 4.127908E+01 +10 2.180000E+00 1.209522E+01 3.755811E+01 +11 2.200000E+00 1.138363E+01 3.355449E+01 +12 2.220000E+00 1.072913E+01 3.188695E+01 +13 2.240000E+00 1.010845E+01 3.017359E+01 +14 2.260000E+00 9.522496E+00 2.841440E+01 +15 2.280000E+00 8.972182E+00 2.660938E+01 +16 2.300000E+00 8.458426E+00 2.475854E+01 +17 2.320000E+00 8.014166E+00 2.006698E+01 +18 2.340000E+00 7.639767E+00 1.777244E+01 +19 2.360000E+00 7.287288E+00 1.787493E+01 +20 2.380000E+00 6.908790E+00 2.037445E+01 +21 2.400000E+00 6.456330E+00 2.527099E+01 +22 2.420000E+00 5.858025E+00 3.384695E+01 +23 2.440000E+00 5.130955E+00 3.814748E+01 +24 2.460000E+00 4.360629E+00 3.817257E+01 +25 2.480000E+00 3.632555E+00 3.392224E+01 +26 2.500000E+00 3.032242E+00 2.539647E+01 +27 2.520000E+00 2.547993E+00 2.297813E+01 +28 2.540000E+00 2.115131E+00 2.025763E+01 +29 2.560000E+00 1.739702E+00 1.723497E+01 +30 2.580000E+00 1.427747E+00 1.391013E+01 +31 2.600000E+00 1.185311E+00 1.028314E+01 +32 2.620000E+00 9.860176E-01 9.578245E+00 +33 2.640000E+00 8.048986E-01 8.465708E+00 +34 2.660000E+00 6.501069E-01 6.945526E+00 +35 2.680000E+00 5.297952E-01 5.017699E+00 +36 2.700000E+00 4.521166E-01 2.682227E+00 +37 2.720000E+00 3.986447E-01 2.615311E+00 +38 2.740000E+00 3.494900E-01 2.250522E+00 +39 2.760000E+00 3.106097E-01 1.587859E+00 +40 2.780000E+00 2.879614E-01 6.273237E-01 +41 2.800000E+00 2.875026E-01 -6.310851E-01 +42 2.820000E+00 3.002733E-01 -6.543549E-01 +43 2.840000E+00 3.140112E-01 -7.277911E-01 +44 2.860000E+00 3.297194E-01 -8.513935E-01 +45 2.880000E+00 3.484014E-01 -1.025162E+00 +46 2.900000E+00 3.710604E-01 -1.249097E+00 +47 2.920000E+00 3.974884E-01 -1.380483E+00 +48 2.940000E+00 4.257507E-01 -1.432530E+00 +49 2.960000E+00 4.542607E-01 -1.405240E+00 +50 2.980000E+00 4.814314E-01 -1.298611E+00 +51 3.000000E+00 5.056762E-01 -1.112645E+00 +52 3.020000E+00 5.266502E-01 -9.832894E-01 +53 3.040000E+00 5.449492E-01 -8.451544E-01 +54 3.060000E+00 5.603978E-01 -6.982396E-01 +55 3.080000E+00 5.728203E-01 -5.425450E-01 +56 3.100000E+00 5.820411E-01 -3.780706E-01 +57 3.120000E+00 5.882509E-01 -2.409307E-01 +58 3.140000E+00 5.915991E-01 -9.190908E-02 +59 3.160000E+00 5.918481E-01 6.899430E-02 +60 3.180000E+00 5.887601E-01 2.417794E-01 +61 3.200000E+00 5.820977E-01 4.264463E-01 +62 3.220000E+00 5.733491E-01 4.528343E-01 +63 3.240000E+00 5.638075E-01 5.057356E-01 +64 3.260000E+00 5.529429E-01 5.851503E-01 +65 3.280000E+00 5.402248E-01 6.910784E-01 +66 3.300000E+00 5.251230E-01 8.235199E-01 +67 3.320000E+00 5.086524E-01 8.236482E-01 +68 3.340000E+00 4.921725E-01 8.244583E-01 +69 3.360000E+00 4.756696E-01 8.259503E-01 +70 3.380000E+00 4.591299E-01 8.281240E-01 +71 3.400000E+00 4.425400E-01 8.309796E-01 +72 3.420000E+00 4.259181E-01 8.311861E-01 +73 3.440000E+00 4.092937E-01 8.312292E-01 +74 3.460000E+00 3.926700E-01 8.311089E-01 +75 3.480000E+00 3.760504E-01 8.308252E-01 +76 3.500000E+00 3.594381E-01 8.303781E-01 +77 3.520000E+00 3.428394E-01 8.295412E-01 +78 3.540000E+00 3.262547E-01 8.289646E-01 +79 3.560000E+00 3.096790E-01 8.286483E-01 +80 3.580000E+00 2.931071E-01 8.285923E-01 +81 3.600000E+00 2.765336E-01 8.287966E-01 +82 3.620000E+00 2.599901E-01 8.254306E-01 +83 3.640000E+00 2.435212E-01 8.213359E-01 +84 3.660000E+00 2.271415E-01 8.165124E-01 +85 3.680000E+00 2.108656E-01 8.109603E-01 +86 3.700000E+00 1.947080E-01 8.046794E-01 +87 3.720000E+00 1.790243E-01 7.653050E-01 +88 3.740000E+00 1.640312E-01 7.356166E-01 +89 3.760000E+00 1.495351E-01 7.156143E-01 +90 3.780000E+00 1.353421E-01 7.052980E-01 +91 3.800000E+00 1.212586E-01 7.046676E-01 +92 3.820000E+00 1.072429E-01 6.965706E-01 +93 3.840000E+00 9.340878E-02 6.865180E-01 +94 3.860000E+00 7.979524E-02 6.745098E-01 +95 3.880000E+00 6.644142E-02 6.605462E-01 +96 3.900000E+00 5.338643E-02 6.446270E-01 +97 3.920000E+00 4.067486E-02 6.268536E-01 +98 3.940000E+00 2.829935E-02 6.110218E-01 +99 3.960000E+00 1.622105E-02 5.971317E-01 +100 3.980000E+00 4.401131E-03 5.851833E-01 +101 4.000000E+00 -7.199230E-03 5.751764E-01 +102 4.020000E+00 -1.856170E-02 5.611971E-01 +103 4.040000E+00 -2.965216E-02 5.479743E-01 +104 4.060000E+00 -4.048572E-02 5.355079E-01 +105 4.080000E+00 -5.107752E-02 5.237981E-01 +106 4.100000E+00 -6.144268E-02 5.128447E-01 +107 4.120000E+00 -7.151117E-02 4.939504E-01 +108 4.140000E+00 -8.119856E-02 4.747353E-01 +109 4.160000E+00 -9.049845E-02 4.551994E-01 +110 4.180000E+00 -9.940440E-02 4.353427E-01 +111 4.200000E+00 -1.079100E-01 4.151651E-01 +112 4.220000E+00 -1.159565E-01 3.900062E-01 +113 4.240000E+00 -1.235312E-01 3.679865E-01 +114 4.260000E+00 -1.306969E-01 3.491061E-01 +115 4.280000E+00 -1.375164E-01 3.333651E-01 +116 4.300000E+00 -1.440524E-01 3.207633E-01 +117 4.320000E+00 -1.503014E-01 3.040292E-01 +118 4.340000E+00 -1.562092E-01 2.866389E-01 +119 4.360000E+00 -1.617626E-01 2.685925E-01 +120 4.380000E+00 -1.669485E-01 2.498899E-01 +121 4.400000E+00 -1.717538E-01 2.305311E-01 +122 4.420000E+00 -1.760941E-01 2.036400E-01 +123 4.440000E+00 -1.799054E-01 1.776469E-01 +124 4.460000E+00 -1.832059E-01 1.525518E-01 +125 4.480000E+00 -1.860135E-01 1.283546E-01 +126 4.500000E+00 -1.883461E-01 1.050554E-01 +127 4.520000E+00 -1.902569E-01 8.558005E-02 +128 4.540000E+00 -1.917515E-01 6.344105E-02 +129 4.560000E+00 -1.927768E-01 3.863842E-02 +130 4.580000E+00 -1.932793E-01 1.117216E-02 +131 4.600000E+00 -1.932059E-01 -1.895774E-02 +132 4.620000E+00 -1.926829E-01 -3.331832E-02 +133 4.640000E+00 -1.918741E-01 -4.753697E-02 +134 4.660000E+00 -1.907824E-01 -6.161370E-02 +135 4.680000E+00 -1.894105E-01 -7.554851E-02 +136 4.700000E+00 -1.877614E-01 -8.934140E-02 +137 4.720000E+00 -1.859159E-01 -9.580751E-02 +138 4.740000E+00 -1.839049E-01 -1.058976E-01 +139 4.760000E+00 -1.816559E-01 -1.196116E-01 +140 4.780000E+00 -1.790963E-01 -1.369495E-01 +141 4.800000E+00 -1.761537E-01 -1.579114E-01 +142 4.820000E+00 -1.728280E-01 -1.744216E-01 +143 4.840000E+00 -1.691864E-01 -1.895036E-01 +144 4.860000E+00 -1.652574E-01 -2.031575E-01 +145 4.880000E+00 -1.610696E-01 -2.153832E-01 +146 4.900000E+00 -1.566516E-01 -2.261808E-01 +147 4.920000E+00 -1.521084E-01 -2.290714E-01 +148 4.940000E+00 -1.474515E-01 -2.375453E-01 +149 4.960000E+00 -1.425693E-01 -2.516026E-01 +150 4.980000E+00 -1.373502E-01 -2.712432E-01 +151 5.000000E+00 -1.316824E-01 -2.964672E-01 +152 5.020000E+00 -1.257009E-01 -3.016666E-01 +153 5.040000E+00 -1.196162E-01 -3.067953E-01 +154 5.060000E+00 -1.134296E-01 -3.118535E-01 +155 5.080000E+00 -1.071425E-01 -3.168409E-01 +156 5.100000E+00 -1.007564E-01 -3.217577E-01 +157 5.120000E+00 -9.430843E-02 -3.230025E-01 +158 5.140000E+00 -8.783782E-02 -3.240216E-01 +159 5.160000E+00 -8.134907E-02 -3.248150E-01 +160 5.180000E+00 -7.484672E-02 -3.253827E-01 +161 5.200000E+00 -6.833527E-02 -3.257248E-01 +162 5.220000E+00 -6.171989E-02 -3.350608E-01 +163 5.240000E+00 -5.496291E-02 -3.398853E-01 +164 5.260000E+00 -4.815456E-02 -3.401983E-01 +165 5.280000E+00 -4.138506E-02 -3.359997E-01 +166 5.300000E+00 -3.474465E-02 -3.272895E-01 +167 5.320000E+00 -2.866480E-02 -2.819209E-01 +168 5.340000E+00 -2.341879E-02 -2.439062E-01 +169 5.360000E+00 -1.885953E-02 -2.132454E-01 +170 5.380000E+00 -1.483994E-02 -1.899386E-01 +171 5.400000E+00 -1.121296E-02 -1.739857E-01 +172 5.420000E+00 -7.974056E-03 -1.497398E-01 +173 5.440000E+00 -5.229953E-03 -1.245058E-01 +174 5.460000E+00 -3.000413E-03 -9.828350E-02 +175 5.480000E+00 -1.305201E-03 -7.107305E-02 +176 5.500000E+00 -1.640790E-04 -4.287441E-02 +177 5.520000E+00 6.371635E-04 -3.612657E-02 +178 5.540000E+00 1.236053E-03 -2.263906E-02 +179 5.560000E+00 1.497795E-03 -2.411882E-03 +180 5.580000E+00 1.287597E-03 2.455496E-02 +181 5.600000E+00 4.706651E-04 5.826147E-02 +182 5.620000E+00 -7.026386E-04 5.910929E-02 +183 5.640000E+00 -1.895322E-03 6.019943E-02 +184 5.660000E+00 -3.112231E-03 6.153190E-02 +185 5.680000E+00 -4.358213E-03 6.310668E-02 +186 5.700000E+00 -5.638114E-03 6.492378E-02 +187 5.720000E+00 -6.949688E-03 6.610584E-02 +188 5.740000E+00 -8.277238E-03 6.652145E-02 +189 5.760000E+00 -9.605436E-03 6.617062E-02 +190 5.780000E+00 -1.091895E-02 6.505335E-02 +191 5.800000E+00 -1.220246E-02 6.316963E-02 +192 5.820000E+00 -1.341489E-02 5.820182E-02 +193 5.840000E+00 -1.453566E-02 5.400257E-02 +194 5.860000E+00 -1.558012E-02 5.057189E-02 +195 5.880000E+00 -1.656366E-02 4.790978E-02 +196 5.900000E+00 -1.750164E-02 4.601622E-02 +197 5.920000E+00 -1.840088E-02 4.358369E-02 +198 5.940000E+00 -1.923199E-02 3.920163E-02 +199 5.960000E+00 -1.995595E-02 3.287003E-02 +200 5.980000E+00 -2.053379E-02 2.458889E-02 +201 6.000000E+00 -2.092651E-02 1.435822E-02 +202 6.020000E+00 -2.120502E-02 1.352840E-02 +203 6.040000E+00 -2.146907E-02 1.291186E-02 +204 6.060000E+00 -2.172292E-02 1.250861E-02 +205 6.080000E+00 -2.197084E-02 1.231865E-02 +206 6.100000E+00 -2.221709E-02 1.234198E-02 +207 6.120000E+00 -2.246474E-02 1.237271E-02 +208 6.140000E+00 -2.270998E-02 1.210114E-02 +209 6.160000E+00 -2.294677E-02 1.152726E-02 +210 6.180000E+00 -2.316905E-02 1.065107E-02 +211 6.200000E+00 -2.337079E-02 9.472569E-03 +212 6.220000E+00 -2.332237E-02 -1.276224E-02 +213 6.240000E+00 -2.292243E-02 -2.567822E-02 +214 6.260000E+00 -2.235736E-02 -2.927535E-02 +215 6.280000E+00 -2.181354E-02 -2.355364E-02 +216 6.300000E+00 -2.147734E-02 -8.513096E-03 +217 6.320000E+00 -2.141633E-02 1.466366E-03 +218 6.340000E+00 -2.149820E-02 5.775798E-03 +219 6.360000E+00 -2.160956E-02 4.415202E-03 +220 6.380000E+00 -2.163701E-02 -2.615423E-03 +221 6.400000E+00 -2.146714E-02 -1.531608E-02 +222 6.420000E+00 -2.107402E-02 -2.337955E-02 +223 6.440000E+00 -2.055660E-02 -2.774728E-02 +224 6.460000E+00 -1.998877E-02 -2.841924E-02 +225 6.480000E+00 -1.944446E-02 -2.539546E-02 +226 6.500000E+00 -1.899759E-02 -1.867591E-02 +227 6.520000E+00 -1.869042E-02 -1.259095E-02 +228 6.540000E+00 -1.847196E-02 -9.804901E-03 +229 6.560000E+00 -1.827623E-02 -1.031775E-02 +230 6.580000E+00 -1.803726E-02 -1.412951E-02 +231 6.600000E+00 -1.768906E-02 -2.124018E-02 +232 6.620000E+00 -1.710949E-02 -3.551655E-02 +233 6.640000E+00 -1.631641E-02 -4.259122E-02 +234 6.660000E+00 -1.545385E-02 -4.246419E-02 +235 6.680000E+00 -1.466585E-02 -3.513545E-02 +236 6.700000E+00 -1.409644E-02 -2.060502E-02 +237 6.720000E+00 -1.374966E-02 -1.461056E-02 +238 6.740000E+00 -1.349054E-02 -1.183851E-02 +239 6.760000E+00 -1.325464E-02 -1.228886E-02 +240 6.780000E+00 -1.297750E-02 -1.596163E-02 +241 6.800000E+00 -1.259469E-02 -2.285680E-02 +242 6.820000E+00 -1.213049E-02 -2.349903E-02 +243 6.840000E+00 -1.165728E-02 -2.375897E-02 +244 6.860000E+00 -1.118268E-02 -2.363664E-02 +245 6.880000E+00 -1.071436E-02 -2.313203E-02 +246 6.900000E+00 -1.025995E-02 -2.224514E-02 +247 6.920000E+00 -9.817276E-03 -2.203990E-02 +248 6.940000E+00 -9.377653E-03 -2.193988E-02 +249 6.960000E+00 -8.938979E-03 -2.194508E-02 +250 6.980000E+00 -8.499148E-03 -2.205550E-02 +251 7.000000E+00 -8.056057E-03 -2.227113E-02 +252 7.020000E+00 -7.597830E-03 -2.345789E-02 +253 7.040000E+00 -7.121492E-03 -2.408210E-02 +254 7.060000E+00 -6.638296E-03 -2.414376E-02 +255 7.080000E+00 -6.159492E-03 -2.364288E-02 +256 7.100000E+00 -5.696331E-03 -2.257946E-02 +257 7.120000E+00 -5.301441E-03 -1.729553E-02 +258 7.140000E+00 -4.989070E-03 -1.432759E-02 +259 7.160000E+00 -4.712898E-03 -1.367562E-02 +260 7.180000E+00 -4.426605E-03 -1.533964E-02 +261 7.200000E+00 -4.083872E-03 -1.931964E-02 +262 7.220000E+00 -3.631995E-03 -2.538390E-02 +263 7.240000E+00 -3.087883E-03 -2.854317E-02 +264 7.260000E+00 -2.509635E-03 -2.879748E-02 +265 7.280000E+00 -1.955351E-03 -2.614680E-02 +266 7.300000E+00 -1.483130E-03 -2.059115E-02 +267 7.320000E+00 -1.113389E-03 -1.639767E-02 +268 7.340000E+00 -8.266321E-04 -1.229279E-02 +269 7.360000E+00 -6.210869E-04 -8.276492E-03 +270 7.380000E+00 -4.949818E-04 -4.348786E-03 +271 7.400000E+00 -4.465449E-04 -5.096684E-04 +272 7.420000E+00 -5.304321E-04 8.162452E-03 +273 7.440000E+00 -7.436056E-04 1.241897E-02 +274 7.460000E+00 -9.977534E-04 1.225988E-02 +275 7.480000E+00 -1.204563E-03 7.685191E-03 +276 7.500000E+00 -1.275724E-03 -1.305104E-03 +277 7.520000E+00 -1.199415E-03 -5.916706E-03 +278 7.540000E+00 -1.055417E-03 -8.074089E-03 +279 7.560000E+00 -8.928131E-04 -7.777253E-03 +280 7.580000E+00 -7.606883E-04 -5.026198E-03 +281 7.600000E+00 -7.081267E-04 1.790768E-04 +282 7.620000E+00 -7.213835E-04 1.157786E-03 +283 7.640000E+00 -7.548855E-04 2.203601E-03 +284 7.660000E+00 -8.099749E-04 3.316523E-03 +285 7.680000E+00 -8.879938E-04 4.496550E-03 +286 7.700000E+00 -9.902843E-04 5.743685E-03 +287 7.720000E+00 -1.122403E-03 7.421734E-03 +288 7.740000E+00 -1.285295E-03 8.820936E-03 +289 7.760000E+00 -1.473382E-03 9.941291E-03 +290 7.780000E+00 -1.681087E-03 1.078280E-02 +291 7.800000E+00 -1.902835E-03 1.134546E-02 +292 7.820000E+00 -2.225281E-03 2.008573E-02 +293 7.840000E+00 -2.673724E-03 2.394500E-02 +294 7.860000E+00 -3.150542E-03 2.292328E-02 +295 7.880000E+00 -3.558115E-03 1.702056E-02 +296 7.900000E+00 -3.798824E-03 6.236836E-03 +297 7.920000E+00 -3.844315E-03 -1.142168E-03 +298 7.940000E+00 -3.774961E-03 -5.247538E-03 +299 7.960000E+00 -3.656237E-03 -6.079274E-03 +300 7.980000E+00 -3.553615E-03 -3.637376E-03 +301 8.000000E+00 -3.532566E-03 2.078155E-03 +302 8.020000E+00 -3.611956E-03 5.494873E-03 +303 8.040000E+00 -3.737724E-03 6.716053E-03 +304 8.060000E+00 -3.865961E-03 5.741694E-03 +305 8.080000E+00 -3.952755E-03 2.571796E-03 +306 8.100000E+00 -3.954196E-03 -2.793640E-03 +307 8.120000E+00 -3.873685E-03 -5.086591E-03 +308 8.140000E+00 -3.757567E-03 -6.354313E-03 +309 8.160000E+00 -3.626347E-03 -6.596805E-03 +310 8.180000E+00 -3.500530E-03 -5.814068E-03 +311 8.200000E+00 -3.400620E-03 -4.006101E-03 +312 8.220000E+00 -3.334411E-03 -2.730570E-03 +313 8.240000E+00 -3.286762E-03 -2.150229E-03 +314 8.260000E+00 -3.243768E-03 -2.265076E-03 +315 8.280000E+00 -3.191524E-03 -3.075114E-03 +316 8.300000E+00 -3.116129E-03 -4.580340E-03 +317 8.320000E+00 -2.964210E-03 -1.014102E-02 +318 8.340000E+00 -2.729309E-03 -1.287854E-02 +319 8.360000E+00 -2.467889E-03 -1.279292E-02 +320 8.380000E+00 -2.236413E-03 -9.884157E-03 +321 8.400000E+00 -2.091344E-03 -4.152240E-03 +322 8.420000E+00 -2.034875E-03 -1.692189E-03 +323 8.440000E+00 -2.015752E-03 -4.177491E-04 +324 8.460000E+00 -2.010261E-03 -3.289192E-04 +325 8.480000E+00 -1.994691E-03 -1.425700E-03 +326 8.500000E+00 -1.945329E-03 -3.708091E-03 +327 8.520000E+00 -1.867098E-03 -4.115259E-03 +328 8.540000E+00 -1.780711E-03 -4.523663E-03 +329 8.560000E+00 -1.686143E-03 -4.933304E-03 +330 8.580000E+00 -1.583370E-03 -5.344181E-03 +331 8.600000E+00 -1.472368E-03 -5.756296E-03 +332 8.620000E+00 -1.328792E-03 -8.394009E-03 +333 8.640000E+00 -1.144899E-03 -9.787974E-03 +334 8.660000E+00 -9.455644E-04 -9.938189E-03 +335 8.680000E+00 -7.556630E-04 -8.844656E-03 +336 8.700000E+00 -6.000698E-04 -6.507373E-03 +337 8.720000E+00 -5.364035E-04 -3.286769E-04 +338 8.740000E+00 -5.681458E-04 3.033482E-03 +339 8.760000E+00 -6.389659E-04 3.579102E-03 +340 8.780000E+00 -6.925330E-04 1.308185E-03 +341 8.800000E+00 -6.725164E-04 -3.779270E-03 +342 8.820000E+00 -5.113768E-04 -1.169180E-02 +343 8.840000E+00 -2.305599E-04 -1.574700E-02 +344 8.860000E+00 9.278768E-05 -1.594487E-02 +345 8.880000E+00 3.815195E-04 -1.228542E-02 +346 8.900000E+00 5.584889E-04 -4.768636E-03 +347 8.920000E+00 6.079481E-04 -2.335309E-04 +348 8.940000E+00 5.700798E-04 3.964121E-03 +349 8.960000E+00 4.516330E-04 7.824320E-03 +350 8.980000E+00 2.593567E-04 1.134707E-02 +351 9.000000E+00 0.000000E+00 1.453236E-02 diff --git a/examples/PACKAGES/dpd-basic/dpd_tstat/in.dpd_tstat b/examples/PACKAGES/dpd-basic/dpd_tstat/in.dpd_tstat new file mode 100644 index 0000000000..a7fff24a23 --- /dev/null +++ b/examples/PACKAGES/dpd-basic/dpd_tstat/in.dpd_tstat @@ -0,0 +1,31 @@ +# Coarse-Grained SPC/E Water + +variable T equal 300.0 +variable rc equal 9.0 +variable rcD equal 10.0 + +units real +boundary p p p +atom_style atomic +dimension 3 +newton on +comm_modify vel yes + +read_data cg_spce.data + +pair_style hybrid/overlay table spline 1000 dpd/tstat ${T} ${T} ${rc} 385262 + +pair_coeff 1 1 table cg_spce_table.pot VOTCA ${rc} +pair_coeff 1 1 dpd/tstat 10.0 ${rcD} + +timestep 1.0 +run_style verlet + +velocity all create ${T} 68768932 + +thermo_style custom step time temp press +thermo 100 + +fix 1 all nve + +run 1000 diff --git a/examples/PACKAGES/dpd-basic/dpd_tstat/log.5Apr22.dpd_tstat.g++.1 b/examples/PACKAGES/dpd-basic/dpd_tstat/log.5Apr22.dpd_tstat.g++.1 new file mode 100644 index 0000000000..428ee4651a --- /dev/null +++ b/examples/PACKAGES/dpd-basic/dpd_tstat/log.5Apr22.dpd_tstat.g++.1 @@ -0,0 +1,106 @@ +LAMMPS (24 Mar 2022) +OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) + using 1 OpenMP thread(s) per MPI task +# Coarse-Grained SPC/E Water + +variable T equal 300.0 +variable rc equal 9.0 +variable rcD equal 10.0 + +units real +boundary p p p +atom_style atomic +dimension 3 +newton on +comm_modify vel yes + +read_data cg_spce.data +Reading data file ... + orthogonal box = (0 0 0) to (40.31 40.31 40.31) + 1 by 1 by 1 MPI processor grid + reading atoms ... + 2180 atoms + read_data CPU = 0.003 seconds + +pair_style hybrid/overlay table spline 1000 dpd/tstat ${T} ${T} ${rc} 385262 +pair_style hybrid/overlay table spline 1000 dpd/tstat 300 ${T} ${rc} 385262 +pair_style hybrid/overlay table spline 1000 dpd/tstat 300 300 ${rc} 385262 +pair_style hybrid/overlay table spline 1000 dpd/tstat 300 300 9 385262 + +pair_coeff 1 1 table cg_spce_table.pot VOTCA ${rc} +pair_coeff 1 1 table cg_spce_table.pot VOTCA 9 +WARNING: 16 of 351 force values in table VOTCA are inconsistent with -dE/dr. +WARNING: Should only be flagged at inflection points (src/pair_table.cpp:465) +pair_coeff 1 1 dpd/tstat 10.0 ${rcD} +pair_coeff 1 1 dpd/tstat 10.0 10 + +timestep 1.0 +run_style verlet + +velocity all create ${T} 68768932 +velocity all create 300 68768932 + +thermo_style custom step time temp press +thermo 100 + +fix 1 all nve + +run 1000 + generated 0 of 0 mixed pair_coeff terms from geometric mixing rule +Neighbor list info ... + update every 1 steps, delay 10 steps, check yes + max neighbors/atom: 2000, page size: 100000 + master list distance cutoff = 12 + ghost atom cutoff = 12 + binsize = 6, bins = 7 7 7 + 2 neighbor lists, perpetual/occasional/extra = 2 0 0 + (1) pair table, perpetual + attributes: half, newton on + pair build: half/bin/atomonly/newton + stencil: half/bin/3d + bin: standard + (2) pair dpd/tstat, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none +Per MPI rank memory allocation (min/avg/max) = 5.38 | 5.38 | 5.38 Mbytes + Step Time Temp Press + 0 0 300 7459.7935 + 100 100 309.27219 6997.2438 + 200 200 311.23318 9940.3922 + 300 300 300.14145 7970.3486 + 400 400 293.17924 8390.7272 + 500 500 285.9647 7304.1147 + 600 600 291.15512 6605.1675 + 700 700 294.54557 7708.3815 + 800 800 288.72442 8641.2675 + 900 900 294.83288 7145.1684 + 1000 1000 291.12446 8525.4556 +Loop time of 10.1894 on 1 procs for 1000 steps with 2180 atoms + +Performance: 8.479 ns/day, 2.830 hours/ns, 98.141 timesteps/s +99.9% CPU use with 1 MPI tasks x 1 OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 10.02 | 10.02 | 10.02 | 0.0 | 98.34 +Neigh | 0.087623 | 0.087623 | 0.087623 | 0.0 | 0.86 +Comm | 0.055526 | 0.055526 | 0.055526 | 0.0 | 0.54 +Output | 0.00026505 | 0.00026505 | 0.00026505 | 0.0 | 0.00 +Modify | 0.013958 | 0.013958 | 0.013958 | 0.0 | 0.14 +Other | | 0.01163 | | | 0.11 + +Nlocal: 2180 ave 2180 max 2180 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Nghost: 6741 ave 6741 max 6741 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Neighs: 261567 ave 261567 max 261567 min +Histogram: 1 0 0 0 0 0 0 0 0 0 + +Total # of neighbors = 261567 +Ave neighs/atom = 119.98486 +Neighbor list builds = 14 +Dangerous builds = 0 +Total wall time: 0:00:10 diff --git a/examples/PACKAGES/dpd-basic/dpd_tstat/log.5Apr22.dpd_tstat.g++.4 b/examples/PACKAGES/dpd-basic/dpd_tstat/log.5Apr22.dpd_tstat.g++.4 new file mode 100644 index 0000000000..f20bde0e6b --- /dev/null +++ b/examples/PACKAGES/dpd-basic/dpd_tstat/log.5Apr22.dpd_tstat.g++.4 @@ -0,0 +1,106 @@ +LAMMPS (24 Mar 2022) +OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) + using 1 OpenMP thread(s) per MPI task +# Coarse-Grained SPC/E Water + +variable T equal 300.0 +variable rc equal 9.0 +variable rcD equal 10.0 + +units real +boundary p p p +atom_style atomic +dimension 3 +newton on +comm_modify vel yes + +read_data cg_spce.data +Reading data file ... + orthogonal box = (0 0 0) to (40.31 40.31 40.31) + 1 by 2 by 2 MPI processor grid + reading atoms ... + 2180 atoms + read_data CPU = 0.003 seconds + +pair_style hybrid/overlay table spline 1000 dpd/tstat ${T} ${T} ${rc} 385262 +pair_style hybrid/overlay table spline 1000 dpd/tstat 300 ${T} ${rc} 385262 +pair_style hybrid/overlay table spline 1000 dpd/tstat 300 300 ${rc} 385262 +pair_style hybrid/overlay table spline 1000 dpd/tstat 300 300 9 385262 + +pair_coeff 1 1 table cg_spce_table.pot VOTCA ${rc} +pair_coeff 1 1 table cg_spce_table.pot VOTCA 9 +WARNING: 16 of 351 force values in table VOTCA are inconsistent with -dE/dr. +WARNING: Should only be flagged at inflection points (src/pair_table.cpp:465) +pair_coeff 1 1 dpd/tstat 10.0 ${rcD} +pair_coeff 1 1 dpd/tstat 10.0 10 + +timestep 1.0 +run_style verlet + +velocity all create ${T} 68768932 +velocity all create 300 68768932 + +thermo_style custom step time temp press +thermo 100 + +fix 1 all nve + +run 1000 + generated 0 of 0 mixed pair_coeff terms from geometric mixing rule +Neighbor list info ... + update every 1 steps, delay 10 steps, check yes + max neighbors/atom: 2000, page size: 100000 + master list distance cutoff = 12 + ghost atom cutoff = 12 + binsize = 6, bins = 7 7 7 + 2 neighbor lists, perpetual/occasional/extra = 2 0 0 + (1) pair table, perpetual + attributes: half, newton on + pair build: half/bin/atomonly/newton + stencil: half/bin/3d + bin: standard + (2) pair dpd/tstat, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none +Per MPI rank memory allocation (min/avg/max) = 3.695 | 3.696 | 3.697 Mbytes + Step Time Temp Press + 0 0 300 7929.9249 + 100 100 305.51763 8531.8105 + 200 200 304.43334 8697.989 + 300 300 292.42805 6865.4712 + 400 400 300.66447 7606.6995 + 500 500 298.43456 8713.2403 + 600 600 298.10981 6913.5475 + 700 700 297.39737 9121.8642 + 800 800 298.23888 7833.1307 + 900 900 293.91793 8423.8417 + 1000 1000 299.65933 7974.9976 +Loop time of 2.82436 on 4 procs for 1000 steps with 2180 atoms + +Performance: 30.591 ns/day, 0.785 hours/ns, 354.062 timesteps/s +99.7% CPU use with 4 MPI tasks x 1 OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 2.6238 | 2.644 | 2.6909 | 1.7 | 93.61 +Neigh | 0.021524 | 0.021958 | 0.022778 | 0.3 | 0.78 +Comm | 0.10035 | 0.1479 | 0.16842 | 7.2 | 5.24 +Output | 0.00019058 | 0.00021173 | 0.00026852 | 0.0 | 0.01 +Modify | 0.0041395 | 0.0041846 | 0.0042798 | 0.1 | 0.15 +Other | | 0.006091 | | | 0.22 + +Nlocal: 545 ave 559 max 536 min +Histogram: 1 0 1 1 0 0 0 0 0 1 +Nghost: 3613.5 ave 3634 max 3604 min +Histogram: 1 2 0 0 0 0 0 0 0 1 +Neighs: 65402 ave 68101 max 63621 min +Histogram: 1 1 0 0 1 0 0 0 0 1 + +Total # of neighbors = 261608 +Ave neighs/atom = 120.00367 +Neighbor list builds = 14 +Dangerous builds = 0 +Total wall time: 0:00:02 diff --git a/examples/PACKAGES/dpd-basic/dpdext/in.dpdext b/examples/PACKAGES/dpd-basic/dpdext/in.dpdext index 726f3a7b39..9f87743fed 100644 --- a/examples/PACKAGES/dpd-basic/dpdext/in.dpdext +++ b/examples/PACKAGES/dpd-basic/dpdext/in.dpdext @@ -4,9 +4,9 @@ variable T equal 1.0 variable rc equal 1.0 variable rcD equal 1.2 -units lj +units lj boundary p p p -atom_style atomic +atom_style atomic dimension 3 newton on comm_modify vel yes @@ -16,29 +16,27 @@ variable L equal 5.0 lattice fcc 3.0 region simBox block 0 ${L} 0 ${L} 0 ${L} create_box 2 simBox -#create_atoms 1 region simBox -create_atoms 1 random 100 132456 simBox -create_atoms 2 random 100 132456 simBox +create_atoms 1 random 100 12456 simBox +create_atoms 2 random 100 13245 simBox mass 1 1.0 mass 2 2.0 ### -pair_style dpd/ext ${T} ${rc} 3854262 +pair_style dpd/ext ${T} ${rc} 3854262 pair_coeff 1 1 25.0 4.5 4.53 0.5 0.53 1.2 #${rcD} pair_coeff 1 2 25.1 4.51 4.54 0.51 0.54 1.21 #${rcD} pair_coeff 2 2 25.2 4.52 4.55 0.52 0.55 1.22 #${rcD} -timestep 0.01 +timestep 0.01 run_style verlet velocity all create ${T} 68768932 thermo_style custom step time temp press -thermo 500 +thermo 100 fix 1 all nve -run 50000 +run 5000 -write_data final.data pair ij \ No newline at end of file diff --git a/examples/PACKAGES/dpd-basic/dpdext/log.5Apr22.dpdext.g++.1 b/examples/PACKAGES/dpd-basic/dpdext/log.5Apr22.dpdext.g++.1 new file mode 100644 index 0000000000..660b4f464d --- /dev/null +++ b/examples/PACKAGES/dpd-basic/dpdext/log.5Apr22.dpdext.g++.1 @@ -0,0 +1,153 @@ +LAMMPS (24 Mar 2022) +OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) + using 1 OpenMP thread(s) per MPI task +# DPD Fluid + +variable T equal 1.0 +variable rc equal 1.0 +variable rcD equal 1.2 + +units lj +boundary p p p +atom_style atomic +dimension 3 +newton on +comm_modify vel yes + +### create box and configuration +variable L equal 5.0 +lattice fcc 3.0 +Lattice spacing in x,y,z = 1.1006424 1.1006424 1.1006424 +region simBox block 0 ${L} 0 ${L} 0 ${L} +region simBox block 0 5 0 ${L} 0 ${L} +region simBox block 0 5 0 5 0 ${L} +region simBox block 0 5 0 5 0 5 +create_box 2 simBox +Created orthogonal box = (0 0 0) to (5.5032121 5.5032121 5.5032121) + 1 by 1 by 1 MPI processor grid +create_atoms 1 random 100 12456 simBox +Created 100 atoms + using lattice units in orthogonal box = (0 0 0) to (5.5032121 5.5032121 5.5032121) + create_atoms CPU = 0.000 seconds +create_atoms 2 random 100 13245 simBox +Created 100 atoms + using lattice units in orthogonal box = (0 0 0) to (5.5032121 5.5032121 5.5032121) + create_atoms CPU = 0.000 seconds +mass 1 1.0 +mass 2 2.0 +### + +pair_style dpd/ext ${T} ${rc} 3854262 +pair_style dpd/ext 1 ${rc} 3854262 +pair_style dpd/ext 1 1 3854262 + +pair_coeff 1 1 25.0 4.5 4.53 0.5 0.53 1.2 #${rcD} +pair_coeff 1 2 25.1 4.51 4.54 0.51 0.54 1.21 #${rcD} +pair_coeff 2 2 25.2 4.52 4.55 0.52 0.55 1.22 #${rcD} + +timestep 0.01 +run_style verlet + +velocity all create ${T} 68768932 +velocity all create 1 68768932 + +thermo_style custom step time temp press +thermo 100 + +fix 1 all nve + +run 5000 + generated 0 of 1 mixed pair_coeff terms from geometric mixing rule +Neighbor list info ... + update every 1 steps, delay 10 steps, check yes + max neighbors/atom: 2000, page size: 100000 + master list distance cutoff = 1.52 + ghost atom cutoff = 1.52 + binsize = 0.76, bins = 8 8 8 + 1 neighbor lists, perpetual/occasional/extra = 1 0 0 + (1) pair dpd/ext, perpetual + attributes: half, newton on + pair build: half/bin/atomonly/newton + stencil: half/bin/3d + bin: standard +Per MPI rank memory allocation (min/avg/max) = 3.083 | 3.083 | 3.083 Mbytes + Step Time Temp Press + 0 0 1 10.864186 + 100 1 1.1314376 7.1955963 + 200 2 1.0058948 8.4574538 + 300 3 0.93292241 7.7033353 + 400 4 0.93599378 7.9649888 + 500 5 1.0390423 7.9498546 + 600 6 1.0750333 7.3594973 + 700 7 1.119325 7.1843859 + 800 8 0.96727219 6.8327896 + 900 9 0.98826001 8.1974994 + 1000 10 1.105819 7.8830702 + 1100 11 0.99559202 7.8295372 + 1200 12 0.9210428 8.2045593 + 1300 13 0.96628584 8.6531905 + 1400 14 1.1808689 7.7659964 + 1500 15 0.96208743 7.9977415 + 1600 16 1.0080123 7.6254557 + 1700 17 0.96910957 8.3643075 + 1800 18 1.0562621 7.5966268 + 1900 19 0.93109173 7.7944606 + 2000 20 1.1126085 9.3753501 + 2100 21 1.1328553 7.6293793 + 2200 22 0.8964042 7.5985061 + 2300 23 1.0043044 8.0016943 + 2400 24 1.0319521 8.1249684 + 2500 25 0.95913468 7.2383318 + 2600 26 0.99480311 7.6491295 + 2700 27 0.9735191 7.5004628 + 2800 28 0.96145308 8.222045 + 2900 29 1.0131071 6.6390842 + 3000 30 0.99463836 7.0147693 + 3100 31 0.96803993 8.2738796 + 3200 32 0.94066026 9.476403 + 3300 33 0.97401823 6.409563 + 3400 34 1.0548493 7.7301555 + 3500 35 0.98567796 8.2949868 + 3600 36 0.86621746 7.4759028 + 3700 37 0.94934175 8.1189998 + 3800 38 0.9626774 7.7986715 + 3900 39 0.95728518 6.8669836 + 4000 40 1.0866412 7.41281 + 4100 41 0.98873564 6.4612262 + 4200 42 0.9109925 7.1806331 + 4300 43 1.0344723 8.4617679 + 4400 44 0.98920584 7.3622901 + 4500 45 0.99386139 6.8002442 + 4600 46 1.0947487 6.8868352 + 4700 47 0.98789482 7.8428621 + 4800 48 1.0035907 8.3878628 + 4900 49 1.0336467 8.1592349 + 5000 50 1.0870964 8.217988 +Loop time of 0.907286 on 1 procs for 5000 steps with 200 atoms + +Performance: 4761453.941 tau/day, 5510.942 timesteps/s +99.5% CPU use with 1 MPI tasks x 1 OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 0.79672 | 0.79672 | 0.79672 | 0.0 | 87.81 +Neigh | 0.066416 | 0.066416 | 0.066416 | 0.0 | 7.32 +Comm | 0.029801 | 0.029801 | 0.029801 | 0.0 | 3.28 +Output | 0.0010415 | 0.0010415 | 0.0010415 | 0.0 | 0.11 +Modify | 0.0078915 | 0.0078915 | 0.0078915 | 0.0 | 0.87 +Other | | 0.005414 | | | 0.60 + +Nlocal: 200 ave 200 max 200 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Nghost: 563 ave 563 max 563 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Neighs: 1624 ave 1624 max 1624 min +Histogram: 1 0 0 0 0 0 0 0 0 0 + +Total # of neighbors = 1624 +Ave neighs/atom = 8.12 +Neighbor list builds = 500 +Dangerous builds = 500 + +Total wall time: 0:00:00 diff --git a/examples/PACKAGES/dpd-basic/dpdext/log.5Apr22.dpdext.g++.4 b/examples/PACKAGES/dpd-basic/dpdext/log.5Apr22.dpdext.g++.4 new file mode 100644 index 0000000000..3b505741a8 --- /dev/null +++ b/examples/PACKAGES/dpd-basic/dpdext/log.5Apr22.dpdext.g++.4 @@ -0,0 +1,153 @@ +LAMMPS (24 Mar 2022) +OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) + using 1 OpenMP thread(s) per MPI task +# DPD Fluid + +variable T equal 1.0 +variable rc equal 1.0 +variable rcD equal 1.2 + +units lj +boundary p p p +atom_style atomic +dimension 3 +newton on +comm_modify vel yes + +### create box and configuration +variable L equal 5.0 +lattice fcc 3.0 +Lattice spacing in x,y,z = 1.1006424 1.1006424 1.1006424 +region simBox block 0 ${L} 0 ${L} 0 ${L} +region simBox block 0 5 0 ${L} 0 ${L} +region simBox block 0 5 0 5 0 ${L} +region simBox block 0 5 0 5 0 5 +create_box 2 simBox +Created orthogonal box = (0 0 0) to (5.5032121 5.5032121 5.5032121) + 1 by 2 by 2 MPI processor grid +create_atoms 1 random 100 12456 simBox +Created 100 atoms + using lattice units in orthogonal box = (0 0 0) to (5.5032121 5.5032121 5.5032121) + create_atoms CPU = 0.000 seconds +create_atoms 2 random 100 13245 simBox +Created 100 atoms + using lattice units in orthogonal box = (0 0 0) to (5.5032121 5.5032121 5.5032121) + create_atoms CPU = 0.000 seconds +mass 1 1.0 +mass 2 2.0 +### + +pair_style dpd/ext ${T} ${rc} 3854262 +pair_style dpd/ext 1 ${rc} 3854262 +pair_style dpd/ext 1 1 3854262 + +pair_coeff 1 1 25.0 4.5 4.53 0.5 0.53 1.2 #${rcD} +pair_coeff 1 2 25.1 4.51 4.54 0.51 0.54 1.21 #${rcD} +pair_coeff 2 2 25.2 4.52 4.55 0.52 0.55 1.22 #${rcD} + +timestep 0.01 +run_style verlet + +velocity all create ${T} 68768932 +velocity all create 1 68768932 + +thermo_style custom step time temp press +thermo 100 + +fix 1 all nve + +run 5000 + generated 0 of 1 mixed pair_coeff terms from geometric mixing rule +Neighbor list info ... + update every 1 steps, delay 10 steps, check yes + max neighbors/atom: 2000, page size: 100000 + master list distance cutoff = 1.52 + ghost atom cutoff = 1.52 + binsize = 0.76, bins = 8 8 8 + 1 neighbor lists, perpetual/occasional/extra = 1 0 0 + (1) pair dpd/ext, perpetual + attributes: half, newton on + pair build: half/bin/atomonly/newton + stencil: half/bin/3d + bin: standard +Per MPI rank memory allocation (min/avg/max) = 3.064 | 3.064 | 3.064 Mbytes + Step Time Temp Press + 0 0 1 9.2729849 + 100 1 1.1416138 7.7058466 + 200 2 0.91696292 8.1601454 + 300 3 0.96358166 6.7987934 + 400 4 0.94726377 7.6196059 + 500 5 1.0941462 7.5974711 + 600 6 0.91469027 8.3921536 + 700 7 1.0912559 7.362721 + 800 8 0.96537861 9.2089379 + 900 9 0.9986577 8.0072887 + 1000 10 0.9580071 7.2399027 + 1100 11 0.94763774 7.8075521 + 1200 12 0.9942368 7.5215461 + 1300 13 1.0312465 8.2684258 + 1400 14 0.95133276 7.2734722 + 1500 15 0.97273431 7.1831939 + 1600 16 1.0052028 7.929104 + 1700 17 0.93909435 8.2831308 + 1800 18 1.0647294 8.850861 + 1900 19 1.0268112 7.2828461 + 2000 20 0.91293528 8.208191 + 2100 21 0.94719411 8.3353929 + 2200 22 0.90507637 9.1708397 + 2300 23 1.0663386 7.1415871 + 2400 24 1.0132089 9.2210634 + 2500 25 1.0633849 8.3368039 + 2600 26 0.95803955 8.8247976 + 2700 27 0.95264552 7.3204561 + 2800 28 0.93548595 7.290555 + 2900 29 0.96876322 7.4969147 + 3000 30 0.99554648 8.2055023 + 3100 31 1.0190751 7.907751 + 3200 32 1.0887502 7.7247246 + 3300 33 1.0059692 7.4039814 + 3400 34 1.0055991 7.3469353 + 3500 35 1.0067689 7.2161248 + 3600 36 1.1103667 8.4373236 + 3700 37 1.0668979 7.1922528 + 3800 38 0.97902043 5.5426601 + 3900 39 1.0268733 6.7786635 + 4000 40 1.0036613 7.8078466 + 4100 41 1.0714377 7.4129166 + 4200 42 0.99168608 6.0096099 + 4300 43 1.084818 7.4932992 + 4400 44 0.98348896 8.9950057 + 4500 45 1.045253 6.1309568 + 4600 46 1.0266723 6.3227645 + 4700 47 1.0183525 8.1505786 + 4800 48 1.0527309 8.2824928 + 4900 49 0.96877903 7.6341751 + 5000 50 1.0178917 7.5037327 +Loop time of 0.320182 on 4 procs for 5000 steps with 200 atoms + +Performance: 13492326.176 tau/day, 15616.118 timesteps/s +98.4% CPU use with 4 MPI tasks x 1 OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 0.20185 | 0.21019 | 0.2166 | 1.4 | 65.65 +Neigh | 0.017652 | 0.018339 | 0.019085 | 0.5 | 5.73 +Comm | 0.076802 | 0.084707 | 0.094197 | 2.6 | 26.46 +Output | 0.00057039 | 0.00066408 | 0.00093301 | 0.0 | 0.21 +Modify | 0.0025036 | 0.0027709 | 0.0030403 | 0.5 | 0.87 +Other | | 0.003508 | | | 1.10 + +Nlocal: 50 ave 53 max 45 min +Histogram: 1 0 0 0 0 0 1 0 1 1 +Nghost: 288.5 ave 300 max 279 min +Histogram: 1 1 0 0 0 0 1 0 0 1 +Neighs: 418.25 ave 438 max 384 min +Histogram: 1 0 0 0 0 1 0 0 0 2 + +Total # of neighbors = 1673 +Ave neighs/atom = 8.365 +Neighbor list builds = 500 +Dangerous builds = 500 + +Total wall time: 0:00:00 diff --git a/examples/PACKAGES/dpd-basic/dpdext_tstat/cg_spce.data b/examples/PACKAGES/dpd-basic/dpdext_tstat/cg_spce.data deleted file mode 100644 index d487e2c73c..0000000000 --- a/examples/PACKAGES/dpd-basic/dpdext_tstat/cg_spce.data +++ /dev/null @@ -1,2196 +0,0 @@ - Coarse-Grained SPC/E Water - - 2180 atoms - - 1 atom types - - 0.0000000E+00 40.310000000000 xlo xhi - 0.0000000E+00 40.310000000000 ylo yhi - 0.0000000E+00 40.310000000000 zlo zhi - - Masses - -1 18.01540 - - Atoms - -1 1 2.815000E+01 5.430000E+00 2.370000E+00 -2 1 1.890000E+00 2.957000E+01 1.761000E+01 -3 1 8.920000E+00 3.556000E+01 8.240000E+00 -4 1 2.307000E+01 9.600000E+00 4.710000E+00 -5 1 1.688000E+01 8.940000E+00 3.880000E+00 -6 1 2.571000E+01 1.277000E+01 1.056000E+01 -7 1 2.788000E+01 3.328000E+01 1.300000E-01 -8 1 3.287000E+01 2.050000E+00 1.368000E+01 -9 1 4.900000E+00 2.183000E+01 1.751000E+01 -10 1 9.670000E+00 3.108000E+01 1.843000E+01 -11 1 1.233000E+01 3.490000E+00 1.091000E+01 -12 1 6.630000E+00 1.581000E+01 3.455000E+01 -13 1 3.951000E+01 2.047000E+01 2.288000E+01 -14 1 3.977000E+01 3.173000E+01 9.060000E+00 -15 1 5.370000E+00 8.940000E+00 3.646000E+01 -16 1 2.129000E+01 3.853000E+01 3.468000E+01 -17 1 1.987000E+01 2.677000E+01 3.762000E+01 -18 1 2.658000E+01 3.167000E+01 2.280000E+00 -19 1 1.231000E+01 3.336000E+01 1.098000E+01 -20 1 7.310000E+00 1.410000E+01 1.654000E+01 -21 1 3.388000E+01 2.584000E+01 1.677000E+01 -22 1 1.115000E+01 3.070000E+00 3.992000E+01 -23 1 3.171000E+01 3.195000E+01 2.267000E+01 -24 1 5.960000E+00 3.507000E+01 1.230000E+01 -25 1 2.904000E+01 1.740000E+00 9.460000E+00 -26 1 1.539000E+01 2.686000E+01 2.030000E+00 -27 1 3.890000E+00 2.148000E+01 2.877000E+01 -28 1 4.550000E+00 2.800000E+01 2.431000E+01 -29 1 9.680000E+00 3.992000E+01 2.964000E+01 -30 1 2.560000E+00 3.939000E+01 2.987000E+01 -31 1 4.960000E+00 2.280000E+01 6.230000E+00 -32 1 2.795000E+01 3.511000E+01 9.810000E+00 -33 1 3.254000E+01 3.032000E+01 3.025000E+01 -34 1 2.292000E+01 3.033000E+01 1.730000E+01 -35 1 2.190000E+00 2.025000E+01 3.929000E+01 -36 1 9.460000E+00 3.815000E+01 6.950000E+00 -37 1 2.409000E+01 2.885000E+01 7.730000E+00 -38 1 3.711000E+01 3.888000E+01 3.314000E+01 -39 1 3.492000E+01 1.987000E+01 8.240000E+00 -40 1 1.350000E+00 3.799000E+01 3.885000E+01 -41 1 3.289000E+01 3.289000E+01 1.859000E+01 -42 1 3.337000E+01 1.603000E+01 3.141000E+01 -43 1 5.120000E+00 6.540000E+00 3.231000E+01 -44 1 5.080000E+00 3.640000E+00 2.178000E+01 -45 1 7.090000E+00 1.072000E+01 1.911000E+01 -46 1 2.804000E+01 1.444000E+01 2.027000E+01 -47 1 2.972000E+01 3.928000E+01 2.997000E+01 -48 1 2.170000E+01 3.263000E+01 3.100000E+01 -49 1 3.063000E+01 8.940000E+00 3.410000E+00 -50 1 2.400000E+00 1.484000E+01 2.534000E+01 -51 1 2.128000E+01 3.944000E+01 1.892000E+01 -52 1 3.616000E+01 3.993000E+01 1.443000E+01 -53 1 2.416000E+01 2.414000E+01 1.280000E+01 -54 1 3.177000E+01 1.047000E+01 1.568000E+01 -55 1 4.024000E+01 1.188000E+01 3.343000E+01 -56 1 6.040000E+00 1.367000E+01 4.028000E+01 -57 1 1.537000E+01 3.589000E+01 6.930000E+00 -58 1 1.231000E+01 2.220000E+00 1.471000E+01 -59 1 3.450000E+00 4.810000E+00 2.487000E+01 -60 1 1.589000E+01 2.520000E+00 1.705000E+01 -61 1 3.705000E+01 3.620000E+01 6.730000E+00 -62 1 3.777000E+01 2.710000E+01 4.029000E+01 -63 1 8.260000E+00 2.033000E+01 4.030000E+01 -64 1 8.210000E+00 3.558000E+01 1.717000E+01 -65 1 3.338000E+01 1.389000E+01 2.210000E+01 -66 1 1.454000E+01 1.650000E+00 1.300000E+01 -67 1 1.977000E+01 3.489000E+01 1.751000E+01 -68 1 5.630000E+00 4.220000E+00 3.875000E+01 -69 1 7.570000E+00 2.576000E+01 1.371000E+01 -70 1 9.340000E+00 3.392000E+01 3.538000E+01 -71 1 2.116000E+01 8.590000E+00 1.475000E+01 -72 1 2.328000E+01 4.022000E+01 1.138000E+01 -73 1 1.298000E+01 3.479000E+01 2.338000E+01 -74 1 2.232000E+01 3.339000E+01 5.320000E+00 -75 1 3.290000E+00 3.240000E+01 2.024000E+01 -76 1 3.794000E+01 3.982000E+01 1.790000E+00 -77 1 1.111000E+01 1.440000E+01 2.301000E+01 -78 1 2.556000E+01 1.714000E+01 1.684000E+01 -79 1 2.500000E+00 2.474000E+01 2.028000E+01 -80 1 1.692000E+01 3.837000E+01 1.303000E+01 -81 1 6.310000E+00 2.551000E+01 3.960000E+01 -82 1 2.402000E+01 1.966000E+01 2.905000E+01 -83 1 2.216000E+01 9.500000E+00 2.543000E+01 -84 1 2.006000E+01 3.431000E+01 4.260000E+00 -85 1 2.198000E+01 8.670000E+00 2.806000E+01 -86 1 1.465000E+01 2.763000E+01 8.340000E+00 -87 1 3.975000E+01 3.870000E+00 3.701000E+01 -88 1 2.952000E+01 7.340000E+00 5.310000E+00 -89 1 2.759000E+01 1.589000E+01 3.402000E+01 -90 1 3.746000E+01 3.945000E+01 2.486000E+01 -91 1 2.370000E+01 2.429000E+01 2.803000E+01 -92 1 1.270000E+01 1.653000E+01 2.314000E+01 -93 1 1.653000E+01 2.786000E+01 2.885000E+01 -94 1 3.146000E+01 2.340000E+00 8.320000E+00 -95 1 3.406000E+01 2.124000E+01 2.389000E+01 -96 1 5.130000E+00 1.574000E+01 8.360000E+00 -97 1 3.087000E+01 6.020000E+00 2.295000E+01 -98 1 3.607000E+01 3.674000E+01 9.200000E+00 -99 1 2.507000E+01 2.107000E+01 3.778000E+01 -100 1 3.351000E+01 4.870000E+00 1.301000E+01 -101 1 2.978000E+01 1.879000E+01 1.277000E+01 -102 1 2.496000E+01 1.400000E-01 3.900000E+01 -103 1 3.761000E+01 3.179000E+01 2.540000E+00 -104 1 2.600000E+00 6.800000E+00 3.347000E+01 -105 1 2.570000E+01 3.173000E+01 1.831000E+01 -106 1 9.460000E+00 1.524000E+01 2.542000E+01 -107 1 2.255000E+01 2.515000E+01 2.190000E+00 -108 1 1.902000E+01 1.988000E+01 3.138000E+01 -109 1 9.450000E+00 3.164000E+01 2.652000E+01 -110 1 6.810000E+00 9.420000E+00 1.463000E+01 -111 1 1.651000E+01 5.200000E+00 2.836000E+01 -112 1 2.234000E+01 2.475000E+01 3.956000E+01 -113 1 3.805000E+01 2.946000E+01 9.080000E+00 -114 1 3.553000E+01 1.590000E+01 1.032000E+01 -115 1 2.565000E+01 3.402000E+01 1.062000E+01 -116 1 1.554000E+01 5.410000E+00 3.926000E+01 -117 1 2.449000E+01 1.282000E+01 1.305000E+01 -118 1 1.590000E+00 3.743000E+01 3.398000E+01 -119 1 1.954000E+01 9.570000E+00 1.179000E+01 -120 1 9.870000E+00 1.497000E+01 1.872000E+01 -121 1 2.925000E+01 3.397000E+01 7.650000E+00 -122 1 2.738000E+01 3.514000E+01 2.980000E+01 -123 1 3.704000E+01 2.310000E+00 2.189000E+01 -124 1 1.988000E+01 1.471000E+01 1.600000E-01 -125 1 1.118000E+01 1.476000E+01 3.354000E+01 -126 1 3.100000E-01 2.588000E+01 3.313000E+01 -127 1 3.437000E+01 2.586000E+01 2.337000E+01 -128 1 3.931000E+01 3.398000E+01 3.424000E+01 -129 1 7.070000E+00 3.063000E+01 2.188000E+01 -130 1 1.840000E+00 1.104000E+01 1.974000E+01 -131 1 1.924000E+01 3.244000E+01 3.670000E+01 -132 1 1.675000E+01 3.463000E+01 1.524000E+01 -133 1 1.670000E+01 3.557000E+01 2.765000E+01 -134 1 3.999000E+01 3.970000E+01 2.385000E+01 -135 1 3.096000E+01 5.990000E+00 1.962000E+01 -136 1 2.357000E+01 1.297000E+01 2.012000E+01 -137 1 5.010000E+00 1.524000E+01 3.843000E+01 -138 1 6.180000E+00 1.152000E+01 2.331000E+01 -139 1 1.200000E+00 2.550000E+01 2.334000E+01 -140 1 4.210000E+00 2.882000E+01 1.460000E+00 -141 1 5.750000E+00 2.729000E+01 7.300000E+00 -142 1 2.792000E+01 6.980000E+00 2.345000E+01 -143 1 9.150000E+00 1.540000E+00 3.415000E+01 -144 1 3.475000E+01 3.229000E+01 2.751000E+01 -145 1 2.668000E+01 2.350000E+00 2.394000E+01 -146 1 3.942000E+01 8.270000E+00 2.016000E+01 -147 1 7.790000E+00 9.330000E+00 2.277000E+01 -148 1 3.106000E+01 3.520000E+01 1.946000E+01 -149 1 1.154000E+01 4.670000E+00 2.609000E+01 -150 1 3.318000E+01 3.935000E+01 3.181000E+01 -151 1 3.033000E+01 3.290000E+00 1.594000E+01 -152 1 2.314000E+01 1.230000E+00 6.300000E-01 -153 1 2.688000E+01 1.040000E+01 1.937000E+01 -154 1 2.805000E+01 3.313000E+01 1.849000E+01 -155 1 3.801000E+01 1.582000E+01 2.545000E+01 -156 1 2.225000E+01 3.680000E+00 9.400000E-01 -157 1 3.259000E+01 2.797000E+01 1.170000E+01 -158 1 1.934000E+01 1.035000E+01 4.000000E-02 -159 1 2.211000E+01 1.586000E+01 4.280000E+00 -160 1 2.636000E+01 2.283000E+01 3.116000E+01 -161 1 3.060000E+00 1.832000E+01 3.778000E+01 -162 1 4.009000E+01 3.503000E+01 8.480000E+00 -163 1 2.116000E+01 3.349000E+01 2.047000E+01 -164 1 2.972000E+01 2.068000E+01 8.160000E+00 -165 1 2.669000E+01 9.500000E-01 7.660000E+00 -166 1 4.360000E+00 6.290000E+00 2.123000E+01 -167 1 3.325000E+01 3.367000E+01 1.095000E+01 -168 1 3.761000E+01 3.190000E+00 1.278000E+01 -169 1 3.670000E+00 2.074000E+01 1.536000E+01 -170 1 1.508000E+01 1.371000E+01 3.257000E+01 -171 1 3.460000E+00 2.393000E+01 2.349000E+01 -172 1 1.095000E+01 1.959000E+01 1.153000E+01 -173 1 2.578000E+01 2.144000E+01 3.342000E+01 -174 1 1.847000E+01 6.670000E+00 6.450000E+00 -175 1 3.564000E+01 3.459000E+01 1.988000E+01 -176 1 1.759000E+01 1.536000E+01 2.579000E+01 -177 1 1.543000E+01 4.010000E+00 1.133000E+01 -178 1 5.270000E+00 8.170000E+00 2.305000E+01 -179 1 7.670000E+00 2.964000E+01 3.700000E-01 -180 1 8.700000E-01 2.032000E+01 3.475000E+01 -181 1 6.880000E+00 3.688000E+01 5.760000E+00 -182 1 2.034000E+01 2.438000E+01 7.170000E+00 -183 1 2.680000E+01 2.198000E+01 1.000000E-02 -184 1 1.444000E+01 2.689000E+01 1.594000E+01 -185 1 3.904000E+01 2.121000E+01 9.920000E+00 -186 1 9.170000E+00 3.546000E+01 4.400000E-01 -187 1 1.350000E+01 1.685000E+01 5.530000E+00 -188 1 7.110000E+00 2.915000E+01 1.820000E+01 -189 1 3.826000E+01 1.259000E+01 2.531000E+01 -190 1 1.024000E+01 1.480000E+00 1.877000E+01 -191 1 3.318000E+01 2.380000E+00 1.160000E+00 -192 1 1.620000E+01 2.425000E+01 2.638000E+01 -193 1 3.329000E+01 1.363000E+01 1.299000E+01 -194 1 2.751000E+01 2.008000E+01 1.454000E+01 -195 1 6.290000E+00 2.970000E+01 6.260000E+00 -196 1 2.577000E+01 1.073000E+01 1.675000E+01 -197 1 1.178000E+01 2.553000E+01 2.947000E+01 -198 1 1.227000E+01 2.341000E+01 1.374000E+01 -199 1 3.420000E+00 3.994000E+01 3.429000E+01 -200 1 7.020000E+00 3.270000E+00 1.405000E+01 -201 1 3.130000E+01 8.500000E-01 3.230000E+01 -202 1 3.793000E+01 6.070000E+00 2.987000E+01 -203 1 5.770000E+00 2.558000E+01 2.327000E+01 -204 1 3.144000E+01 3.996000E+01 2.539000E+01 -205 1 2.692000E+01 2.118000E+01 2.730000E+00 -206 1 1.698000E+01 1.947000E+01 3.821000E+01 -207 1 2.264000E+01 3.201000E+01 3.543000E+01 -208 1 3.579000E+01 8.900000E-01 2.210000E+00 -209 1 2.386000E+01 9.300000E-01 7.290000E+00 -210 1 1.831000E+01 2.571000E+01 8.400000E-01 -211 1 1.325000E+01 1.549000E+01 1.296000E+01 -212 1 2.693000E+01 3.916000E+01 3.400000E-01 -213 1 2.757000E+01 1.330000E+01 1.579000E+01 -214 1 3.146000E+01 2.151000E+01 2.460000E+01 -215 1 5.010000E+00 2.472000E+01 1.316000E+01 -216 1 3.586000E+01 7.470000E+00 1.382000E+01 -217 1 2.176000E+01 1.877000E+01 1.732000E+01 -218 1 7.300000E+00 1.480000E+01 7.050000E+00 -219 1 8.680000E+00 2.746000E+01 7.610000E+00 -220 1 3.326000E+01 3.281000E+01 1.580000E+01 -221 1 2.980000E+00 1.509000E+01 2.820000E+01 -222 1 3.621000E+01 1.533000E+01 1.612000E+01 -223 1 8.640000E+00 9.260000E+00 1.227000E+01 -224 1 2.920000E+01 1.315000E+01 2.229000E+01 -225 1 1.842000E+01 3.040000E+00 2.652000E+01 -226 1 6.990000E+00 1.572000E+01 3.156000E+01 -227 1 9.330000E+00 4.450000E+00 3.682000E+01 -228 1 3.521000E+01 1.321000E+01 9.970000E+00 -229 1 1.032000E+01 1.774000E+01 3.277000E+01 -230 1 3.870000E+01 2.491000E+01 3.721000E+01 -231 1 2.480000E+00 3.320000E+01 3.706000E+01 -232 1 3.795000E+01 5.200000E+00 2.095000E+01 -233 1 1.240000E+00 1.685000E+01 1.170000E+01 -234 1 2.528000E+01 3.293000E+01 3.957000E+01 -235 1 3.658000E+01 3.679000E+01 1.689000E+01 -236 1 1.325000E+01 2.419000E+01 4.700000E+00 -237 1 1.819000E+01 4.320000E+00 0.000000E+00 -238 1 3.282000E+01 7.330000E+00 3.172000E+01 -239 1 5.030000E+00 3.222000E+01 1.552000E+01 -240 1 6.640000E+00 3.435000E+01 1.538000E+01 -241 1 7.250000E+00 8.860000E+00 3.137000E+01 -242 1 2.514000E+01 5.190000E+00 5.740000E+00 -243 1 1.975000E+01 2.949000E+01 2.054000E+01 -244 1 2.737000E+01 2.537000E+01 9.950000E+00 -245 1 1.586000E+01 1.974000E+01 9.550000E+00 -246 1 3.506000E+01 2.875000E+01 3.141000E+01 -247 1 2.802000E+01 2.129000E+01 1.900000E+01 -248 1 3.022000E+01 2.140000E+01 3.370000E+01 -249 1 7.530000E+00 1.148000E+01 1.661000E+01 -250 1 2.137000E+01 2.405000E+01 1.341000E+01 -251 1 8.940000E+00 1.907000E+01 2.363000E+01 -252 1 2.814000E+01 3.540000E+01 1.704000E+01 -253 1 2.201000E+01 1.323000E+01 5.790000E+00 -254 1 3.282000E+01 1.123000E+01 2.798000E+01 -255 1 3.007000E+01 3.075000E+01 3.564000E+01 -256 1 2.144000E+01 2.451000E+01 3.577000E+01 -257 1 2.238000E+01 2.254000E+01 6.560000E+00 -258 1 2.965000E+01 3.416000E+01 2.582000E+01 -259 1 3.839000E+01 3.504000E+01 3.685000E+01 -260 1 3.415000E+01 1.119000E+01 3.936000E+01 -261 1 3.310000E+01 1.422000E+01 2.646000E+01 -262 1 1.370000E+01 3.952000E+01 1.585000E+01 -263 1 1.279000E+01 2.395000E+01 2.746000E+01 -264 1 1.760000E+00 3.403000E+01 1.054000E+01 -265 1 1.049000E+01 7.180000E+00 2.963000E+01 -266 1 1.886000E+01 4.200000E+00 1.764000E+01 -267 1 7.570000E+00 1.001000E+01 8.850000E+00 -268 1 2.180000E+01 2.746000E+01 3.128000E+01 -269 1 3.308000E+01 2.905000E+01 1.539000E+01 -270 1 3.186000E+01 2.445000E+01 6.800000E+00 -271 1 3.047000E+01 2.204000E+01 6.050000E+00 -272 1 1.734000E+01 2.366000E+01 3.421000E+01 -273 1 1.277000E+01 2.862000E+01 2.138000E+01 -274 1 9.830000E+00 2.602000E+01 1.516000E+01 -275 1 3.661000E+01 1.411000E+01 2.375000E+01 -276 1 1.343000E+01 1.414000E+01 2.735000E+01 -277 1 1.653000E+01 2.172000E+01 2.870000E+00 -278 1 2.107000E+01 2.185000E+01 3.690000E+01 -279 1 3.664000E+01 3.410000E+01 2.809000E+01 -280 1 3.016000E+01 2.572000E+01 2.045000E+01 -281 1 1.800000E+00 1.859000E+01 6.690000E+00 -282 1 9.300000E-01 2.920000E+00 3.291000E+01 -283 1 1.215000E+01 2.864000E+01 5.550000E+00 -284 1 1.697000E+01 3.419000E+01 1.006000E+01 -285 1 1.210000E+00 4.930000E+00 4.830000E+00 -286 1 1.177000E+01 4.940000E+00 1.829000E+01 -287 1 2.625000E+01 7.380000E+00 2.798000E+01 -288 1 9.000000E-01 9.530000E+00 2.272000E+01 -289 1 1.592000E+01 1.530000E+01 1.692000E+01 -290 1 2.390000E+00 1.613000E+01 6.940000E+00 -291 1 3.898000E+01 7.710000E+00 8.020000E+00 -292 1 3.644000E+01 2.475000E+01 3.385000E+01 -293 1 2.802000E+01 3.480000E+00 4.028000E+01 -294 1 3.279000E+01 2.458000E+01 2.784000E+01 -295 1 1.913000E+01 3.837000E+01 2.331000E+01 -296 1 2.613000E+01 3.081000E+01 2.674000E+01 -297 1 2.532000E+01 3.771000E+01 1.013000E+01 -298 1 1.711000E+01 2.262000E+01 1.300000E+01 -299 1 2.871000E+01 1.246000E+01 1.832000E+01 -300 1 1.272000E+01 4.620000E+00 1.570000E+01 -301 1 2.197000E+01 2.425000E+01 2.139000E+01 -302 1 8.500000E+00 3.999000E+01 2.546000E+01 -303 1 4.070000E+00 3.246000E+01 4.270000E+00 -304 1 4.013000E+01 2.952000E+01 1.460000E+01 -305 1 5.930000E+00 3.346000E+01 2.326000E+01 -306 1 1.439000E+01 9.140000E+00 2.484000E+01 -307 1 9.330000E+00 6.640000E+00 2.131000E+01 -308 1 1.420000E+00 3.616000E+01 1.303000E+01 -309 1 2.305000E+01 2.713000E+01 1.359000E+01 -310 1 1.925000E+01 2.965000E+01 3.961000E+01 -311 1 2.497000E+01 6.660000E+00 1.485000E+01 -312 1 2.556000E+01 2.865000E+01 2.880000E+01 -313 1 7.550000E+00 2.085000E+01 3.045000E+01 -314 1 1.802000E+01 2.925000E+01 3.721000E+01 -315 1 1.246000E+01 3.098000E+01 2.556000E+01 -316 1 2.276000E+01 1.251000E+01 2.868000E+01 -317 1 3.486000E+01 2.344000E+01 3.855000E+01 -318 1 6.280000E+00 3.151000E+01 3.906000E+01 -319 1 3.735000E+01 2.264000E+01 3.812000E+01 -320 1 1.332000E+01 8.980000E+00 7.770000E+00 -321 1 7.600000E+00 3.136000E+01 7.920000E+00 -322 1 3.200000E+00 2.920000E+00 5.280000E+00 -323 1 8.170000E+00 3.254000E+01 2.026000E+01 -324 1 3.333000E+01 1.170000E+00 1.636000E+01 -325 1 6.700000E+00 2.234000E+01 2.669000E+01 -326 1 6.900000E+00 1.025000E+01 1.160000E+00 -327 1 2.358000E+01 5.690000E+00 2.170000E+01 -328 1 6.430000E+00 2.517000E+01 1.905000E+01 -329 1 2.326000E+01 8.260000E+00 2.295000E+01 -330 1 2.460000E+01 5.410000E+00 4.700000E-01 -331 1 1.027000E+01 3.768000E+01 9.570000E+00 -332 1 9.450000E+00 1.871000E+01 3.017000E+01 -333 1 2.388000E+01 3.240000E+01 3.140000E+00 -334 1 1.889000E+01 2.567000E+01 1.466000E+01 -335 1 2.108000E+01 3.427000E+01 3.588000E+01 -336 1 3.488000E+01 3.803000E+01 2.242000E+01 -337 1 3.365000E+01 1.929000E+01 1.290000E+01 -338 1 1.810000E+01 3.344000E+01 1.303000E+01 -339 1 2.758000E+01 1.885000E+01 3.407000E+01 -340 1 3.829000E+01 2.758000E+01 7.120000E+00 -341 1 2.168000E+01 3.619000E+01 2.075000E+01 -342 1 5.040000E+00 2.573000E+01 5.050000E+00 -343 1 1.410000E+00 3.445000E+01 2.788000E+01 -344 1 2.773000E+01 1.125000E+01 3.333000E+01 -345 1 2.771000E+01 2.476000E+01 3.514000E+01 -346 1 2.428000E+01 1.029000E+01 2.774000E+01 -347 1 3.090000E+00 2.826000E+01 2.660000E+01 -348 1 3.362000E+01 1.246000E+01 1.582000E+01 -349 1 3.486000E+01 7.960000E+00 2.133000E+01 -350 1 8.200000E-01 3.203000E+01 2.350000E+01 -351 1 3.545000E+01 3.597000E+01 2.943000E+01 -352 1 8.600000E-01 1.621000E+01 1.422000E+01 -353 1 3.739000E+01 3.666000E+01 1.962000E+01 -354 1 2.228000E+01 2.954000E+01 3.150000E+00 -355 1 2.835000E+01 5.820000E+00 7.670000E+00 -356 1 9.200000E-01 2.790000E+00 3.912000E+01 -357 1 3.029000E+01 1.368000E+01 1.318000E+01 -358 1 9.330000E+00 2.945000E+01 3.619000E+01 -359 1 2.842000E+01 4.110000E+00 2.477000E+01 -360 1 3.226000E+01 3.613000E+01 3.814000E+01 -361 1 1.100000E+01 1.278000E+01 1.770000E+00 -362 1 4.630000E+00 2.791000E+01 1.784000E+01 -363 1 1.707000E+01 6.750000E+00 2.289000E+01 -364 1 1.461000E+01 2.572000E+01 2.945000E+01 -365 1 3.159000E+01 2.440000E+01 3.511000E+01 -366 1 3.020000E+01 1.310000E+00 1.446000E+01 -367 1 3.759000E+01 2.400000E+00 6.600000E+00 -368 1 2.129000E+01 3.053000E+01 3.711000E+01 -369 1 3.927000E+01 3.698000E+01 3.886000E+01 -370 1 2.680000E+01 1.916000E+01 2.140000E+01 -371 1 1.641000E+01 3.931000E+01 2.595000E+01 -372 1 9.690000E+00 2.920000E+01 1.350000E+01 -373 1 2.753000E+01 3.731000E+01 1.496000E+01 -374 1 3.919000E+01 3.481000E+01 2.686000E+01 -375 1 4.580000E+00 3.495000E+01 3.575000E+01 -376 1 1.669000E+01 3.878000E+01 1.774000E+01 -377 1 3.577000E+01 2.542000E+01 8.300000E-01 -378 1 2.120000E+00 7.530000E+00 1.505000E+01 -379 1 2.696000E+01 1.639000E+01 2.185000E+01 -380 1 1.869000E+01 2.578000E+01 3.481000E+01 -381 1 3.108000E+01 2.050000E+00 1.130000E+01 -382 1 2.538000E+01 2.567000E+01 1.472000E+01 -383 1 1.538000E+01 3.608000E+01 4.100000E+00 -384 1 1.799000E+01 1.564000E+01 7.600000E+00 -385 1 1.348000E+01 2.671000E+01 3.384000E+01 -386 1 2.680000E+01 1.150000E+01 2.732000E+01 -387 1 1.540000E+00 1.068000E+01 6.000000E+00 -388 1 4.023000E+01 1.474000E+01 5.400000E+00 -389 1 3.603000E+01 1.044000E+01 1.040000E+00 -390 1 4.027000E+01 2.082000E+01 1.968000E+01 -391 1 8.140000E+00 7.470000E+00 1.017000E+01 -392 1 2.301000E+01 2.329000E+01 2.513000E+01 -393 1 2.445000E+01 3.558000E+01 3.913000E+01 -394 1 1.612000E+01 7.370000E+00 3.142000E+01 -395 1 5.760000E+00 3.391000E+01 1.460000E+00 -396 1 3.129000E+01 8.290000E+00 2.114000E+01 -397 1 2.631000E+01 3.050000E+00 2.120000E+00 -398 1 9.910000E+00 1.148000E+01 4.270000E+00 -399 1 3.146000E+01 1.048000E+01 9.000000E-02 -400 1 3.029000E+01 2.582000E+01 3.696000E+01 -401 1 9.700000E-01 3.600000E-01 6.090000E+00 -402 1 3.565000E+01 1.051000E+01 3.233000E+01 -403 1 1.931000E+01 3.769000E+01 1.438000E+01 -404 1 3.355000E+01 3.627000E+01 1.898000E+01 -405 1 1.822000E+01 3.092000E+01 1.960000E+00 -406 1 2.619000E+01 2.340000E+01 4.470000E+00 -407 1 3.452000E+01 1.894000E+01 1.873000E+01 -408 1 1.800000E+01 1.734000E+01 2.255000E+01 -409 1 2.946000E+01 3.888000E+01 3.664000E+01 -410 1 2.969000E+01 3.251000E+01 2.916000E+01 -411 1 3.049000E+01 3.154000E+01 1.894000E+01 -412 1 9.580000E+00 2.081000E+01 1.784000E+01 -413 1 6.710000E+00 3.164000E+01 1.056000E+01 -414 1 2.241000E+01 2.598000E+01 2.520000E+01 -415 1 9.400000E-01 3.714000E+01 7.120000E+00 -416 1 1.092000E+01 3.565000E+01 1.807000E+01 -417 1 3.221000E+01 3.286000E+01 2.858000E+01 -418 1 1.093000E+01 2.681000E+01 2.706000E+01 -419 1 3.190000E+00 3.247000E+01 3.307000E+01 -420 1 3.676000E+01 3.171000E+01 1.952000E+01 -421 1 2.035000E+01 1.811000E+01 2.446000E+01 -422 1 2.091000E+01 6.640000E+00 2.509000E+01 -423 1 1.010000E+01 1.037000E+01 1.606000E+01 -424 1 2.802000E+01 5.650000E+00 3.563000E+01 -425 1 3.514000E+01 3.759000E+01 3.460000E+01 -426 1 1.331000E+01 6.790000E+00 2.066000E+01 -427 1 3.670000E+01 3.280000E+00 1.023000E+01 -428 1 2.502000E+01 1.631000E+01 4.016000E+01 -429 1 3.680000E+01 3.883000E+01 3.693000E+01 -430 1 2.102000E+01 2.652000E+01 2.284000E+01 -431 1 3.128000E+01 1.447000E+01 3.730000E+01 -432 1 3.794000E+01 2.310000E+01 8.370000E+00 -433 1 5.030000E+00 3.022000E+01 2.741000E+01 -434 1 2.962000E+01 1.390000E+00 2.630000E+00 -435 1 7.470000E+00 1.300000E-01 8.060000E+00 -436 1 3.823000E+01 5.110000E+00 4.540000E+00 -437 1 3.993000E+01 2.487000E+01 2.555000E+01 -438 1 3.419000E+01 2.951000E+01 2.442000E+01 -439 1 2.047000E+01 2.120000E+00 1.372000E+01 -440 1 3.523000E+01 2.256000E+01 8.270000E+00 -441 1 2.551000E+01 3.081000E+01 9.110000E+00 -442 1 1.465000E+01 2.800000E+00 2.347000E+01 -443 1 2.903000E+01 1.144000E+01 1.204000E+01 -444 1 2.534000E+01 9.610000E+00 6.210000E+00 -445 1 3.062000E+01 7.070000E+00 2.967000E+01 -446 1 2.014000E+01 2.659000E+01 1.931000E+01 -447 1 2.399000E+01 1.880000E+01 3.480000E+01 -448 1 5.950000E+00 4.015000E+01 2.619000E+01 -449 1 1.404000E+01 3.854000E+01 3.780000E+00 -450 1 2.456000E+01 3.041000E+01 1.332000E+01 -451 1 2.196000E+01 1.540000E+01 3.747000E+01 -452 1 1.775000E+01 2.995000E+01 1.391000E+01 -453 1 3.000000E+01 2.423000E+01 1.001000E+01 -454 1 2.089000E+01 1.681000E+01 1.216000E+01 -455 1 1.788000E+01 2.556000E+01 7.570000E+00 -456 1 4.270000E+00 3.488000E+01 2.894000E+01 -457 1 2.754000E+01 3.101000E+01 2.264000E+01 -458 1 3.745000E+01 1.266000E+01 1.446000E+01 -459 1 1.948000E+01 8.000000E-02 3.541000E+01 -460 1 2.737000E+01 1.305000E+01 7.530000E+00 -461 1 3.302000E+01 2.540000E+01 2.041000E+01 -462 1 1.480000E+00 1.862000E+01 3.188000E+01 -463 1 7.900000E+00 1.395000E+01 1.408000E+01 -464 1 2.880000E+00 2.228000E+01 2.579000E+01 -465 1 3.848000E+01 3.161000E+01 2.994000E+01 -466 1 2.209000E+01 5.990000E+00 3.548000E+01 -467 1 2.863000E+01 3.632000E+01 3.624000E+01 -468 1 3.886000E+01 6.300000E+00 5.500000E-01 -469 1 3.331000E+01 1.047000E+01 4.380000E+00 -470 1 1.915000E+01 3.204000E+01 1.581000E+01 -471 1 8.850000E+00 2.500000E+01 2.963000E+01 -472 1 8.900000E+00 2.761000E+01 2.023000E+01 -473 1 1.218000E+01 1.500000E+01 2.970000E+00 -474 1 3.538000E+01 2.514000E+01 2.735000E+01 -475 1 3.498000E+01 3.620000E+00 1.695000E+01 -476 1 2.180000E+00 2.672000E+01 3.022000E+01 -477 1 2.349000E+01 3.983000E+01 1.417000E+01 -478 1 2.961000E+01 2.362000E+01 1.624000E+01 -479 1 1.777000E+01 4.920000E+00 3.195000E+01 -480 1 2.344000E+01 3.231000E+01 2.207000E+01 -481 1 3.998000E+01 9.400000E+00 3.494000E+01 -482 1 2.316000E+01 2.077000E+01 2.094000E+01 -483 1 3.072000E+01 3.947000E+01 1.320000E+00 -484 1 3.821000E+01 3.383000E+01 6.130000E+00 -485 1 2.503000E+01 2.028000E+01 5.030000E+00 -486 1 8.130000E+00 2.060000E+00 2.800000E-01 -487 1 2.430000E+01 2.911000E+01 4.990000E+00 -488 1 2.613000E+01 2.770000E+00 2.049000E+01 -489 1 3.885000E+01 2.315000E+01 1.970000E+01 -490 1 3.372000E+01 2.897000E+01 3.922000E+01 -491 1 1.540000E+01 3.012000E+01 2.314000E+01 -492 1 2.695000E+01 2.389000E+01 1.219000E+01 -493 1 3.379000E+01 3.924000E+01 2.480000E+00 -494 1 3.960000E+00 2.416000E+01 3.545000E+01 -495 1 1.618000E+01 2.350000E+01 3.071000E+01 -496 1 2.070000E+00 1.474000E+01 3.868000E+01 -497 1 3.018000E+01 2.268000E+01 1.230000E+01 -498 1 2.320000E+01 2.918000E+01 2.774000E+01 -499 1 1.001000E+01 3.753000E+01 2.846000E+01 -500 1 2.132000E+01 2.645000E+01 1.565000E+01 -501 1 2.124000E+01 4.000000E-01 1.562000E+01 -502 1 2.089000E+01 3.840000E+00 3.390000E+00 -503 1 9.170000E+00 2.348000E+01 1.682000E+01 -504 1 3.598000E+01 1.163000E+01 1.901000E+01 -505 1 6.180000E+00 2.294000E+01 3.150000E+01 -506 1 2.943000E+01 2.030000E+01 1.530000E+00 -507 1 3.094000E+01 1.106000E+01 1.918000E+01 -508 1 7.800000E-01 2.906000E+01 2.530000E+01 -509 1 2.225000E+01 3.673000E+01 1.809000E+01 -510 1 2.905000E+01 3.090000E+01 4.890000E+00 -511 1 2.936000E+01 2.555000E+01 1.342000E+01 -512 1 3.532000E+01 3.460000E+00 3.339000E+01 -513 1 1.160000E+00 1.028000E+01 3.751000E+01 -514 1 2.057000E+01 3.865000E+01 2.644000E+01 -515 1 3.607000E+01 2.724000E+01 2.521000E+01 -516 1 2.070000E+00 2.438000E+01 1.330000E+01 -517 1 3.426000E+01 1.288000E+01 3.510000E+00 -518 1 1.031000E+01 1.441000E+01 1.237000E+01 -519 1 9.380000E+00 3.884000E+01 1.909000E+01 -520 1 1.407000E+01 8.440000E+00 4.290000E+00 -521 1 1.541000E+01 2.054000E+01 1.640000E+01 -522 1 2.758000E+01 1.626000E+01 1.016000E+01 -523 1 2.593000E+01 1.352000E+01 3.500000E+01 -524 1 1.201000E+01 2.840000E+00 2.228000E+01 -525 1 2.295000E+01 1.030000E+00 2.891000E+01 -526 1 1.343000E+01 3.535000E+01 1.220000E+00 -527 1 1.510000E+00 1.070000E+01 3.078000E+01 -528 1 1.510000E+00 3.334000E+01 1.352000E+01 -529 1 1.523000E+01 2.434000E+01 1.679000E+01 -530 1 7.270000E+00 1.314000E+01 3.473000E+01 -531 1 7.970000E+00 3.660000E+00 2.739000E+01 -532 1 1.714000E+01 3.790000E+01 3.372000E+01 -533 1 1.506000E+01 3.911000E+01 2.845000E+01 -534 1 1.887000E+01 1.030000E+01 1.960000E+01 -535 1 1.438000E+01 2.701000E+01 1.312000E+01 -536 1 8.390000E+00 3.570000E+00 2.481000E+01 -537 1 3.839000E+01 2.238000E+01 2.579000E+01 -538 1 1.575000E+01 1.470000E+00 2.340000E+00 -539 1 3.519000E+01 5.500000E-01 2.541000E+01 -540 1 2.842000E+01 2.741000E+01 3.819000E+01 -541 1 5.460000E+00 1.297000E+01 6.280000E+00 -542 1 8.890000E+00 2.460000E+00 8.160000E+00 -543 1 2.594000E+01 3.498000E+01 2.231000E+01 -544 1 1.479000E+01 2.808000E+01 5.580000E+00 -545 1 6.030000E+00 1.235000E+01 2.913000E+01 -546 1 3.869000E+01 3.718000E+01 1.300000E+01 -547 1 1.380000E+00 3.164000E+01 3.510000E+00 -548 1 3.547000E+01 2.438000E+01 6.340000E+00 -549 1 3.259000E+01 5.000000E-01 2.295000E+01 -550 1 1.518000E+01 6.600000E-01 1.028000E+01 -551 1 3.941000E+01 9.710000E+00 6.370000E+00 -552 1 2.449000E+01 2.411000E+01 2.216000E+01 -553 1 2.358000E+01 3.512000E+01 2.349000E+01 -554 1 2.868000E+01 2.597000E+01 2.906000E+01 -555 1 1.977000E+01 3.606000E+01 3.134000E+01 -556 1 1.723000E+01 2.773000E+01 1.903000E+01 -557 1 9.900000E+00 7.220000E+00 4.900000E-01 -558 1 3.167000E+01 3.729000E+01 1.212000E+01 -559 1 1.327000E+01 1.870000E+01 3.987000E+01 -560 1 7.720000E+00 2.210000E+01 1.457000E+01 -561 1 3.201000E+01 3.360000E+01 4.220000E+00 -562 1 2.924000E+01 1.310000E+00 2.747000E+01 -563 1 3.574000E+01 3.101000E+01 1.548000E+01 -564 1 2.924000E+01 3.047000E+01 3.831000E+01 -565 1 1.850000E+00 8.130000E+00 3.932000E+01 -566 1 1.161000E+01 2.185000E+01 8.210000E+00 -567 1 3.442000E+01 6.840000E+00 2.270000E+00 -568 1 3.389000E+01 1.524000E+01 3.643000E+01 -569 1 1.774000E+01 1.401000E+01 1.280000E+01 -570 1 1.943000E+01 2.805000E+01 8.920000E+00 -571 1 3.791000E+01 3.482000E+01 3.156000E+01 -572 1 9.810000E+00 6.760000E+00 1.259000E+01 -573 1 1.101000E+01 1.849000E+01 2.777000E+01 -574 1 3.854000E+01 2.472000E+01 2.208000E+01 -575 1 5.050000E+00 1.827000E+01 1.847000E+01 -576 1 3.709000E+01 3.437000E+01 2.310000E+00 -577 1 1.735000E+01 3.308000E+01 9.600000E-01 -578 1 2.036000E+01 1.672000E+01 8.720000E+00 -579 1 2.025000E+01 1.720000E+00 3.060000E+01 -580 1 2.330000E+01 3.287000E+01 1.820000E+01 -581 1 2.037000E+01 1.620000E+01 2.636000E+01 -582 1 2.366000E+01 3.854000E+01 3.295000E+01 -583 1 1.795000E+01 3.777000E+01 2.290000E+00 -584 1 3.894000E+01 1.893000E+01 3.680000E+01 -585 1 1.733000E+01 1.950000E+00 1.934000E+01 -586 1 2.097000E+01 2.876000E+01 1.299000E+01 -587 1 1.085000E+01 1.202000E+01 2.193000E+01 -588 1 1.420000E+01 1.297000E+01 7.240000E+00 -589 1 3.595000E+01 3.720000E+01 2.476000E+01 -590 1 2.613000E+01 3.840000E+00 3.338000E+01 -591 1 2.638000E+01 1.730000E+01 1.315000E+01 -592 1 3.991000E+01 3.899000E+01 3.256000E+01 -593 1 3.695000E+01 3.579000E+01 4.020000E+01 -594 1 1.289000E+01 3.423000E+01 2.926000E+01 -595 1 2.269000E+01 2.160000E+01 3.927000E+01 -596 1 9.350000E+00 1.344000E+01 3.833000E+01 -597 1 1.540000E+01 5.170000E+00 2.454000E+01 -598 1 2.038000E+01 2.065000E+01 2.232000E+01 -599 1 1.578000E+01 3.991000E+01 2.335000E+01 -600 1 5.790000E+00 1.380000E+00 3.840000E+00 -601 1 3.080000E+00 8.560000E+00 3.132000E+01 -602 1 1.149000E+01 3.351000E+01 3.040000E+00 -603 1 2.710000E+00 6.500000E-01 2.371000E+01 -604 1 1.380000E+00 1.240000E+00 2.604000E+01 -605 1 2.461000E+01 1.463000E+01 2.216000E+01 -606 1 3.489000E+01 3.560000E+01 1.214000E+01 -607 1 2.110000E+01 1.130000E+01 3.203000E+01 -608 1 2.710000E+00 2.171000E+01 1.921000E+01 -609 1 2.371000E+01 2.064000E+01 1.711000E+01 -610 1 2.608000E+01 3.770000E+01 2.926000E+01 -611 1 9.100000E-01 3.790000E+00 2.455000E+01 -612 1 1.232000E+01 3.946000E+01 2.822000E+01 -613 1 7.920000E+00 3.155000E+01 3.494000E+01 -614 1 8.640000E+00 1.228000E+01 3.600000E-01 -615 1 1.209000E+01 1.765000E+01 1.449000E+01 -616 1 9.430000E+00 3.682000E+01 2.133000E+01 -617 1 3.655000E+01 3.211000E+01 1.296000E+01 -618 1 8.400000E+00 3.299000E+01 2.640000E+00 -619 1 3.150000E+01 1.270000E+00 2.872000E+01 -620 1 2.434000E+01 2.294000E+01 9.930000E+00 -621 1 7.010000E+00 3.645000E+01 2.206000E+01 -622 1 2.411000E+01 7.500000E+00 7.340000E+00 -623 1 3.769000E+01 2.512000E+01 1.061000E+01 -624 1 2.642000E+01 2.827000E+01 1.392000E+01 -625 1 1.534000E+01 2.490000E+00 3.676000E+01 -626 1 3.848000E+01 1.350000E+00 9.000000E+00 -627 1 2.170000E+01 3.500000E+01 9.420000E+00 -628 1 3.720000E+00 3.177000E+01 2.306000E+01 -629 1 1.584000E+01 9.150000E+00 2.081000E+01 -630 1 3.619000E+01 2.571000E+01 3.644000E+01 -631 1 5.290000E+00 4.017000E+01 3.818000E+01 -632 1 2.045000E+01 3.980000E+00 3.903000E+01 -633 1 2.976000E+01 1.756000E+01 6.560000E+00 -634 1 2.771000E+01 2.528000E+01 1.758000E+01 -635 1 2.285000E+01 2.420000E+00 3.632000E+01 -636 1 3.797000E+01 1.128000E+01 8.220000E+00 -637 1 1.619000E+01 3.179000E+01 2.109000E+01 -638 1 1.248000E+01 2.994000E+01 1.643000E+01 -639 1 3.304000E+01 1.518000E+01 4.690000E+00 -640 1 1.678000E+01 2.830000E+01 1.621000E+01 -641 1 1.230000E+01 3.206000E+01 1.360000E+01 -642 1 3.749000E+01 1.930000E+01 8.980000E+00 -643 1 3.385000E+01 2.638000E+01 1.406000E+01 -644 1 1.365000E+01 3.490000E+00 3.058000E+01 -645 1 6.730000E+00 2.010000E+01 1.255000E+01 -646 1 3.550000E+01 3.928000E+01 1.700000E+01 -647 1 3.594000E+01 6.490000E+00 4.005000E+01 -648 1 3.877000E+01 3.043000E+01 1.877000E+01 -649 1 9.340000E+00 2.314000E+01 3.499000E+01 -650 1 3.007000E+01 2.930000E+01 1.071000E+01 -651 1 3.420000E+01 1.243000E+01 3.417000E+01 -652 1 6.270000E+00 3.567000E+01 3.941000E+01 -653 1 3.647000E+01 2.536000E+01 2.990000E+01 -654 1 3.468000E+01 8.800000E-01 3.509000E+01 -655 1 3.280000E+01 2.184000E+01 1.227000E+01 -656 1 1.615000E+01 1.291000E+01 1.584000E+01 -657 1 3.990000E+01 3.177000E+01 1.626000E+01 -658 1 5.200000E+00 2.090000E+01 3.293000E+01 -659 1 3.609000E+01 7.970000E+00 3.355000E+01 -660 1 2.126000E+01 1.560000E+00 1.093000E+01 -661 1 3.862000E+01 1.842000E+01 1.982000E+01 -662 1 1.861000E+01 1.123000E+01 2.674000E+01 -663 1 2.391000E+01 1.732000E+01 3.061000E+01 -664 1 6.350000E+00 1.859000E+01 2.796000E+01 -665 1 3.644000E+01 6.380000E+00 1.109000E+01 -666 1 1.520000E+00 2.203000E+01 1.682000E+01 -667 1 3.213000E+01 1.863000E+01 5.570000E+00 -668 1 3.212000E+01 2.800000E+01 8.050000E+00 -669 1 3.344000E+01 1.076000E+01 1.339000E+01 -670 1 1.797000E+01 3.840000E+00 3.663000E+01 -671 1 7.730000E+00 5.790000E+00 3.015000E+01 -672 1 2.891000E+01 2.616000E+01 2.630000E+01 -673 1 1.781000E+01 1.785000E+01 4.280000E+00 -674 1 2.327000E+01 2.643000E+01 3.553000E+01 -675 1 8.190000E+00 3.984000E+01 3.549000E+01 -676 1 3.472000E+01 2.874000E+01 2.162000E+01 -677 1 2.685000E+01 2.769000E+01 8.010000E+00 -678 1 1.593000E+01 1.886000E+01 3.164000E+01 -679 1 1.452000E+01 6.930000E+00 1.527000E+01 -680 1 1.704000E+01 2.665000E+01 2.424000E+01 -681 1 3.051000E+01 2.600000E-01 2.126000E+01 -682 1 3.610000E+00 1.666000E+01 4.260000E+00 -683 1 1.560000E+00 2.023000E+01 2.785000E+01 -684 1 7.960000E+00 6.270000E+00 1.879000E+01 -685 1 1.494000E+01 2.269000E+01 2.395000E+01 -686 1 3.239000E+01 3.789000E+01 1.615000E+01 -687 1 2.933000E+01 3.430000E+01 1.219000E+01 -688 1 3.053000E+01 3.060000E+01 1.596000E+01 -689 1 3.924000E+01 4.960000E+00 1.373000E+01 -690 1 3.640000E+00 7.120000E+00 3.330000E+00 -691 1 1.567000E+01 3.612000E+01 4.030000E+01 -692 1 1.589000E+01 1.675000E+01 1.275000E+01 -693 1 2.139000E+01 2.311000E+01 1.618000E+01 -694 1 2.488000E+01 2.183000E+01 1.498000E+01 -695 1 3.215000E+01 3.492000E+01 2.542000E+01 -696 1 2.819000E+01 1.378000E+01 3.237000E+01 -697 1 3.815000E+01 1.373000E+01 3.633000E+01 -698 1 4.340000E+00 3.811000E+01 5.780000E+00 -699 1 4.390000E+00 3.276000E+01 3.068000E+01 -700 1 2.930000E+01 4.008000E+01 1.894000E+01 -701 1 1.313000E+01 1.999000E+01 9.970000E+00 -702 1 3.142000E+01 3.774000E+01 2.725000E+01 -703 1 2.779000E+01 3.169000E+01 8.130000E+00 -704 1 5.340000E+00 3.398000E+01 9.790000E+00 -705 1 2.602000E+01 6.270000E+00 9.090000E+00 -706 1 2.247000E+01 2.886000E+01 1.950000E+01 -707 1 4.650000E+00 3.260000E+00 8.180000E+00 -708 1 3.039000E+01 3.515000E+01 2.966000E+01 -709 1 2.434000E+01 7.210000E+00 3.155000E+01 -710 1 1.250000E+00 5.230000E+00 3.544000E+01 -711 1 1.390000E+01 2.491000E+01 2.517000E+01 -712 1 3.581000E+01 1.145000E+01 2.867000E+01 -713 1 5.800000E-01 1.696000E+01 3.703000E+01 -714 1 2.303000E+01 3.198000E+01 1.486000E+01 -715 1 2.135000E+01 1.115000E+01 1.687000E+01 -716 1 3.806000E+01 3.995000E+01 1.678000E+01 -717 1 4.140000E+00 3.313000E+01 1.790000E+01 -718 1 3.480000E+01 3.762000E+01 6.200000E-01 -719 1 3.188000E+01 1.792000E+01 2.097000E+01 -720 1 2.350000E+00 1.273000E+01 2.318000E+01 -721 1 2.728000E+01 1.889000E+01 9.160000E+00 -722 1 3.408000E+01 3.084000E+01 3.294000E+01 -723 1 3.240000E+00 1.244000E+01 2.943000E+01 -724 1 2.051000E+01 1.324000E+01 1.061000E+01 -725 1 3.179000E+01 2.032000E+01 3.777000E+01 -726 1 1.300000E+00 3.036000E+01 3.260000E+01 -727 1 5.810000E+00 3.539000E+01 2.529000E+01 -728 1 1.356000E+01 4.050000E+00 7.980000E+00 -729 1 1.280000E+00 1.406000E+01 3.084000E+01 -730 1 3.751000E+01 9.910000E+00 1.419000E+01 -731 1 3.560000E+00 2.043000E+01 3.572000E+01 -732 1 2.807000E+01 1.272000E+01 2.957000E+01 -733 1 1.030000E+01 3.771000E+01 3.320000E+00 -734 1 2.519000E+01 3.108000E+01 3.485000E+01 -735 1 4.210000E+00 1.015000E+01 1.481000E+01 -736 1 3.297000E+01 3.553000E+01 3.800000E-01 -737 1 1.391000E+01 4.250000E+00 2.798000E+01 -738 1 3.163000E+01 3.147000E+01 2.522000E+01 -739 1 6.800000E-01 9.000000E+00 9.580000E+00 -740 1 3.693000E+01 1.269000E+01 2.138000E+01 -741 1 3.779000E+01 1.676000E+01 2.900000E+00 -742 1 3.409000E+01 3.193000E+01 3.230000E+00 -743 1 2.104000E+01 1.530000E+00 3.802000E+01 -744 1 3.698000E+01 8.310000E+00 2.317000E+01 -745 1 1.636000E+01 3.968000E+01 2.039000E+01 -746 1 1.718000E+01 2.280000E+01 1.567000E+01 -747 1 2.872000E+01 3.545000E+01 2.363000E+01 -748 1 1.478000E+01 2.706000E+01 1.992000E+01 -749 1 2.920000E+00 2.723000E+01 4.320000E+00 -750 1 9.980000E+00 3.424000E+01 2.143000E+01 -751 1 3.957000E+01 3.017000E+01 3.709000E+01 -752 1 4.000000E+00 3.655000E+01 7.970000E+00 -753 1 3.551000E+01 4.002000E+01 2.020000E+01 -754 1 3.830000E+00 3.087000E+01 6.520000E+00 -755 1 2.354000E+01 2.238000E+01 4.140000E+00 -756 1 1.044000E+01 3.541000E+01 5.160000E+00 -757 1 2.194000E+01 3.613000E+01 3.780000E+01 -758 1 2.092000E+01 2.245000E+01 1.115000E+01 -759 1 3.496000E+01 1.040000E+00 1.250000E+01 -760 1 3.112000E+01 2.356000E+01 2.265000E+01 -761 1 4.018000E+01 2.631000E+01 1.422000E+01 -762 1 3.725000E+01 2.257000E+01 4.990000E+00 -763 1 4.260000E+00 7.250000E+00 5.800000E-01 -764 1 1.535000E+01 2.568000E+01 4.500000E+00 -765 1 2.280000E+00 7.200000E+00 2.548000E+01 -766 1 1.892000E+01 2.767000E+01 3.048000E+01 -767 1 3.965000E+01 2.569000E+01 8.820000E+00 -768 1 3.997000E+01 2.795000E+01 1.922000E+01 -769 1 3.916000E+01 2.240000E+01 1.647000E+01 -770 1 2.000000E-02 1.028000E+01 2.766000E+01 -771 1 8.010000E+00 6.310000E+00 2.720000E+00 -772 1 1.906000E+01 3.198000E+01 2.144000E+01 -773 1 2.095000E+01 2.715000E+01 3.392000E+01 -774 1 3.462000E+01 2.642000E+01 3.263000E+01 -775 1 1.301000E+01 2.714000E+01 1.069000E+01 -776 1 1.523000E+01 2.320000E+00 6.840000E+00 -777 1 5.620000E+00 1.000000E-01 2.002000E+01 -778 1 5.430000E+00 8.100000E+00 8.940000E+00 -779 1 1.961000E+01 2.385000E+01 4.008000E+01 -780 1 1.642000E+01 1.774000E+01 3.617000E+01 -781 1 1.140000E+00 2.459000E+01 3.976000E+01 -782 1 6.360000E+00 7.020000E+00 3.485000E+01 -783 1 3.050000E+00 3.680000E+01 3.114000E+01 -784 1 3.819000E+01 3.930000E+01 1.971000E+01 -785 1 3.449000E+01 5.310000E+00 7.490000E+00 -786 1 2.447000E+01 2.977000E+01 2.104000E+01 -787 1 1.216000E+01 2.083000E+01 1.964000E+01 -788 1 3.000000E-02 1.740000E+01 3.406000E+01 -789 1 1.061000E+01 6.600000E-01 1.321000E+01 -790 1 6.150000E+00 1.853000E+01 3.426000E+01 -791 1 3.316000E+01 1.856000E+01 3.208000E+01 -792 1 9.170000E+00 1.165000E+01 1.375000E+01 -793 1 7.100000E+00 2.260000E+00 3.753000E+01 -794 1 3.203000E+01 8.540000E+00 2.772000E+01 -795 1 3.570000E+01 1.662000E+01 1.270000E+00 -796 1 1.294000E+01 1.035000E+01 2.984000E+01 -797 1 2.190000E+00 3.980000E+01 7.100000E-01 -798 1 3.700000E+01 1.581000E+01 3.798000E+01 -799 1 7.490000E+00 1.611000E+01 2.699000E+01 -800 1 1.770000E+01 3.511000E+01 2.850000E+00 -801 1 3.115000E+01 2.188000E+01 1.933000E+01 -802 1 1.725000E+01 7.210000E+00 2.589000E+01 -803 1 2.056000E+01 2.099000E+01 4.240000E+00 -804 1 9.800000E+00 8.470000E+00 4.960000E+00 -805 1 3.926000E+01 1.310000E+00 3.630000E+01 -806 1 1.438000E+01 1.603000E+01 3.682000E+01 -807 1 3.647000E+01 2.067000E+01 3.631000E+01 -808 1 6.610000E+00 2.971000E+01 3.295000E+01 -809 1 2.104000E+01 7.710000E+00 3.731000E+01 -810 1 1.582000E+01 3.212000E+01 1.447000E+01 -811 1 1.030000E+00 1.449000E+01 2.940000E+00 -812 1 9.300000E-01 5.000000E-01 3.422000E+01 -813 1 2.733000E+01 3.544000E+01 2.021000E+01 -814 1 1.997000E+01 8.780000E+00 3.361000E+01 -815 1 1.831000E+01 1.683000E+01 1.128000E+01 -816 1 4.900000E+00 9.750000E+00 2.688000E+01 -817 1 2.096000E+01 9.670000E+00 6.390000E+00 -818 1 8.240000E+00 2.498000E+01 3.239000E+01 -819 1 2.763000E+01 1.116000E+01 9.470000E+00 -820 1 3.852000E+01 3.052000E+01 1.193000E+01 -821 1 3.237000E+01 2.209000E+01 1.608000E+01 -822 1 3.000000E+01 2.932000E+01 2.511000E+01 -823 1 3.354000E+01 3.845000E+01 1.356000E+01 -824 1 1.186000E+01 2.160000E+00 3.527000E+01 -825 1 3.336000E+01 2.013000E+01 2.136000E+01 -826 1 3.470000E+01 1.719000E+01 3.890000E+00 -827 1 3.460000E+00 3.257000E+01 9.700000E-01 -828 1 1.512000E+01 3.043000E+01 1.635000E+01 -829 1 1.564000E+01 1.436000E+01 3.110000E+00 -830 1 1.960000E+00 3.510000E+00 2.854000E+01 -831 1 3.933000E+01 1.727000E+01 2.233000E+01 -832 1 6.770000E+00 2.061000E+01 1.888000E+01 -833 1 1.690000E+01 3.100000E+00 8.990000E+00 -834 1 7.920000E+00 1.209000E+01 2.119000E+01 -835 1 8.140000E+00 1.669000E+01 1.654000E+01 -836 1 1.356000E+01 3.261000E+01 1.777000E+01 -837 1 1.916000E+01 2.254000E+01 2.240000E+00 -838 1 8.200000E-01 1.630000E+00 9.600000E+00 -839 1 4.230000E+00 7.800000E-01 1.595000E+01 -840 1 3.256000E+01 3.110000E+01 1.334000E+01 -841 1 2.620000E+00 3.921000E+01 1.443000E+01 -842 1 2.916000E+01 2.898000E+01 2.530000E+00 -843 1 4.006000E+01 2.917000E+01 3.966000E+01 -844 1 9.600000E+00 3.287000E+01 1.425000E+01 -845 1 7.700000E+00 4.030000E+01 2.270000E+00 -846 1 2.284000E+01 1.328000E+01 3.290000E+01 -847 1 1.866000E+01 2.900000E-01 2.668000E+01 -848 1 5.620000E+00 1.563000E+01 2.383000E+01 -849 1 2.584000E+01 1.075000E+01 1.414000E+01 -850 1 3.147000E+01 3.050000E+00 5.580000E+00 -851 1 2.520000E+01 3.040000E+01 1.900000E-01 -852 1 2.617000E+01 2.138000E+01 2.898000E+01 -853 1 3.771000E+01 1.780000E+01 4.010000E+01 -854 1 1.203000E+01 3.870000E+01 1.346000E+01 -855 1 6.580000E+00 2.261000E+01 4.900000E-01 -856 1 2.727000E+01 3.260000E+00 1.314000E+01 -857 1 3.430000E+00 1.018000E+01 2.242000E+01 -858 1 1.162000E+01 2.183000E+01 2.590000E+00 -859 1 2.840000E+01 2.584000E+01 4.910000E+00 -860 1 2.730000E+00 1.896000E+01 1.988000E+01 -861 1 2.209000E+01 3.577000E+01 1.290000E+01 -862 1 2.057000E+01 6.120000E+00 1.587000E+01 -863 1 2.596000E+01 9.010000E+00 9.880000E+00 -864 1 1.852000E+01 1.698000E+01 1.500000E+01 -865 1 7.580000E+00 9.280000E+00 2.879000E+01 -866 1 2.592000E+01 1.074000E+01 1.900000E-01 -867 1 1.295000E+01 5.200000E+00 4.022000E+01 -868 1 2.274000E+01 1.780000E+01 2.731000E+01 -869 1 3.434000E+01 4.240000E+00 2.660000E+01 -870 1 1.378000E+01 3.530000E+01 2.066000E+01 -871 1 3.765000E+01 9.920000E+00 2.705000E+01 -872 1 3.754000E+01 2.837000E+01 3.605000E+01 -873 1 5.760000E+00 3.360000E+00 3.454000E+01 -874 1 3.029000E+01 2.226000E+01 2.898000E+01 -875 1 3.327000E+01 1.732000E+01 7.840000E+00 -876 1 3.632000E+01 1.310000E+01 6.250000E+00 -877 1 3.194000E+01 2.590000E+01 2.524000E+01 -878 1 1.028000E+01 1.960000E+00 4.490000E+00 -879 1 3.579000E+01 2.290000E+00 2.966000E+01 -880 1 3.942000E+01 3.196000E+01 6.600000E-01 -881 1 3.678000E+01 3.858000E+01 5.240000E+00 -882 1 1.144000E+01 3.168000E+01 3.634000E+01 -883 1 1.450000E+01 2.814000E+01 3.868000E+01 -884 1 3.402000E+01 1.046000E+01 2.060000E+01 -885 1 1.743000E+01 3.810000E+01 3.998000E+01 -886 1 3.809000E+01 3.529000E+01 2.441000E+01 -887 1 3.648000E+01 2.244000E+01 1.856000E+01 -888 1 3.363000E+01 1.148000E+01 2.301000E+01 -889 1 1.700000E+00 2.129000E+01 9.050000E+00 -890 1 7.440000E+00 2.906000E+01 2.745000E+01 -891 1 2.516000E+01 1.413000E+01 3.209000E+01 -892 1 1.770000E+00 1.710000E+00 2.115000E+01 -893 1 3.475000E+01 4.018000E+01 3.987000E+01 -894 1 3.282000E+01 3.888000E+01 3.845000E+01 -895 1 2.771000E+01 2.233000E+01 2.152000E+01 -896 1 1.500000E-01 3.264000E+01 6.430000E+00 -897 1 3.724000E+01 1.184000E+01 3.794000E+01 -898 1 1.817000E+01 3.143000E+01 2.934000E+01 -899 1 3.997000E+01 7.000000E+00 2.259000E+01 -900 1 1.854000E+01 1.541000E+01 1.812000E+01 -901 1 1.820000E+00 2.583000E+01 3.519000E+01 -902 1 3.299000E+01 2.158000E+01 2.852000E+01 -903 1 3.254000E+01 2.840000E+01 2.650000E+01 -904 1 2.985000E+01 1.900000E+01 1.933000E+01 -905 1 3.170000E+00 1.346000E+01 8.600000E+00 -906 1 1.997000E+01 3.786000E+01 8.920000E+00 -907 1 3.431000E+01 1.089000E+01 7.990000E+00 -908 1 2.038000E+01 7.980000E+00 3.979000E+01 -909 1 4.080000E+00 2.395000E+01 3.035000E+01 -910 1 3.444000E+01 9.670000E+00 3.008000E+01 -911 1 1.583000E+01 1.467000E+01 2.227000E+01 -912 1 1.431000E+01 1.500000E+01 3.947000E+01 -913 1 4.670000E+00 2.058000E+01 3.000000E-01 -914 1 9.300000E+00 2.344000E+01 5.290000E+00 -915 1 2.399000E+01 2.950000E+01 2.521000E+01 -916 1 2.265000E+01 5.580000E+00 3.851000E+01 -917 1 2.574000E+01 2.662000E+01 3.447000E+01 -918 1 2.933000E+01 2.029000E+01 2.288000E+01 -919 1 2.541000E+01 9.850000E+00 2.358000E+01 -920 1 5.910000E+00 3.300000E+00 5.750000E+00 -921 1 1.326000E+01 7.000000E-02 2.430000E+01 -922 1 3.950000E+00 2.194000E+01 2.171000E+01 -923 1 3.333000E+01 3.333000E+01 3.166000E+01 -924 1 1.750000E+00 1.349000E+01 1.146000E+01 -925 1 3.112000E+01 2.539000E+01 1.787000E+01 -926 1 1.868000E+01 1.020000E+00 1.011000E+01 -927 1 1.286000E+01 2.967000E+01 1.190000E+01 -928 1 7.900000E+00 3.319000E+01 5.760000E+00 -929 1 3.152000E+01 1.395000E+01 1.066000E+01 -930 1 1.509000E+01 3.071000E+01 1.065000E+01 -931 1 2.109000E+01 1.130000E+01 8.650000E+00 -932 1 3.999000E+01 2.953000E+01 2.270000E+01 -933 1 1.099000E+01 3.969000E+01 2.321000E+01 -934 1 1.117000E+01 3.025000E+01 3.283000E+01 -935 1 3.573000E+01 2.144000E+01 3.377000E+01 -936 1 3.968000E+01 2.056000E+01 3.883000E+01 -937 1 3.883000E+01 2.733000E+01 2.522000E+01 -938 1 3.058000E+01 3.023000E+01 3.197000E+01 -939 1 1.682000E+01 3.112000E+01 3.195000E+01 -940 1 5.210000E+00 1.511000E+01 2.270000E+00 -941 1 2.484000E+01 3.855000E+01 1.900000E+01 -942 1 1.251000E+01 8.200000E-01 6.010000E+00 -943 1 1.945000E+01 2.246000E+01 2.716000E+01 -944 1 3.236000E+01 2.477000E+01 4.090000E+00 -945 1 3.575000E+01 2.625000E+01 2.092000E+01 -946 1 3.212000E+01 3.182000E+01 8.550000E+00 -947 1 8.700000E+00 3.527000E+01 2.976000E+01 -948 1 3.505000E+01 1.031000E+01 3.573000E+01 -949 1 1.260000E+00 1.847000E+01 3.270000E+00 -950 1 2.692000E+01 3.179000E+01 3.059000E+01 -951 1 1.983000E+01 3.155000E+01 1.247000E+01 -952 1 2.251000E+01 2.447000E+01 3.282000E+01 -953 1 3.023000E+01 1.924000E+01 3.172000E+01 -954 1 1.474000E+01 3.618000E+01 2.940000E+01 -955 1 5.110000E+00 5.140000E+00 1.415000E+01 -956 1 1.730000E+01 2.116000E+01 1.800000E-01 -957 1 1.817000E+01 3.470000E+00 2.967000E+01 -958 1 1.196000E+01 3.108000E+01 2.941000E+01 -959 1 3.782000E+01 2.364000E+01 1.930000E+00 -960 1 1.775000E+01 1.363000E+01 2.943000E+01 -961 1 1.126000E+01 4.530000E+00 1.315000E+01 -962 1 1.827000E+01 3.255000E+01 2.395000E+01 -963 1 1.220000E+01 9.900000E-01 2.410000E+00 -964 1 2.614000E+01 3.974000E+01 1.483000E+01 -965 1 1.964000E+01 3.425000E+01 2.586000E+01 -966 1 2.316000E+01 5.030000E+00 2.602000E+01 -967 1 2.478000E+01 3.461000E+01 2.617000E+01 -968 1 3.113000E+01 1.817000E+01 2.240000E+00 -969 1 8.710000E+00 3.614000E+01 1.418000E+01 -970 1 1.900000E-01 3.677000E+01 3.071000E+01 -971 1 3.538000E+01 5.140000E+00 2.318000E+01 -972 1 9.790000E+00 2.135000E+01 2.544000E+01 -973 1 1.234000E+01 3.592000E+01 1.006000E+01 -974 1 2.808000E+01 2.346000E+01 6.350000E+00 -975 1 1.086000E+01 3.276000E+01 2.368000E+01 -976 1 3.010000E+01 1.223000E+01 2.699000E+01 -977 1 1.798000E+01 3.060000E+00 4.020000E+00 -978 1 9.390000E+00 1.377000E+01 5.800000E+00 -979 1 9.450000E+00 9.490000E+00 2.509000E+01 -980 1 1.634000E+01 2.181000E+01 2.177000E+01 -981 1 2.499000E+01 2.674000E+01 4.900000E-01 -982 1 7.580000E+00 1.520000E+01 3.701000E+01 -983 1 3.193000E+01 1.752000E+01 1.411000E+01 -984 1 3.935000E+01 5.860000E+00 1.126000E+01 -985 1 4.690000E+00 2.804000E+01 1.205000E+01 -986 1 1.666000E+01 4.480000E+00 5.880000E+00 -987 1 1.574000E+01 1.277000E+01 2.425000E+01 -988 1 3.410000E+00 5.510000E+00 9.080000E+00 -989 1 3.154000E+01 1.890000E+00 1.838000E+01 -990 1 9.200000E-01 1.946000E+01 1.111000E+01 -991 1 1.300000E-01 3.681000E+01 1.547000E+01 -992 1 2.851000E+01 3.912000E+01 2.277000E+01 -993 1 1.302000E+01 3.893000E+01 3.916000E+01 -994 1 2.523000E+01 2.550000E+01 2.880000E+00 -995 1 1.403000E+01 2.277000E+01 1.031000E+01 -996 1 9.250000E+00 3.892000E+01 1.171000E+01 -997 1 2.110000E+00 4.720000E+00 1.958000E+01 -998 1 3.144000E+01 3.505000E+01 3.586000E+01 -999 1 8.950000E+00 3.743000E+01 3.477000E+01 -1000 1 3.336000E+01 2.864000E+01 3.608000E+01 -1001 1 8.380000E+00 6.150000E+00 3.305000E+01 -1002 1 4.015000E+01 3.770000E+01 4.670000E+00 -1003 1 2.169000E+01 8.000000E+00 8.710000E+00 -1004 1 3.218000E+01 8.590000E+00 3.414000E+01 -1005 1 1.451000E+01 1.921000E+01 2.655000E+01 -1006 1 3.070000E+01 5.380000E+00 1.411000E+01 -1007 1 1.231000E+01 1.584000E+01 1.988000E+01 -1008 1 1.339000E+01 1.660000E+00 2.670000E+01 -1009 1 1.676000E+01 3.086000E+01 5.210000E+00 -1010 1 1.886000E+01 4.200000E+00 1.443000E+01 -1011 1 4.390000E+00 2.058000E+01 7.710000E+00 -1012 1 1.980000E+00 1.848000E+01 1.524000E+01 -1013 1 8.270000E+00 4.710000E+00 1.614000E+01 -1014 1 3.172000E+01 1.239000E+01 2.488000E+01 -1015 1 5.750000E+00 1.411000E+01 1.242000E+01 -1016 1 3.544000E+01 3.200000E+01 9.300000E-01 -1017 1 3.444000E+01 2.616000E+01 3.838000E+01 -1018 1 2.259000E+01 3.158000E+01 7.330000E+00 -1019 1 1.400000E+01 3.055000E+01 3.491000E+01 -1020 1 2.852000E+01 2.002000E+01 2.953000E+01 -1021 1 3.060000E+01 1.624000E+01 9.080000E+00 -1022 1 1.561000E+01 1.068000E+01 1.044000E+01 -1023 1 2.138000E+01 2.543000E+01 2.883000E+01 -1024 1 1.760000E+00 2.414000E+01 4.110000E+00 -1025 1 1.033000E+01 2.356000E+01 3.815000E+01 -1026 1 1.698000E+01 1.150000E+01 2.182000E+01 -1027 1 1.922000E+01 1.262000E+01 3.896000E+01 -1028 1 3.953000E+01 1.910000E+00 2.334000E+01 -1029 1 9.940000E+00 2.793000E+01 3.256000E+01 -1030 1 4.600000E-01 1.283000E+01 3.671000E+01 -1031 1 1.190000E+00 7.660000E+00 1.186000E+01 -1032 1 1.931000E+01 1.312000E+01 4.800000E+00 -1033 1 3.352000E+01 2.255000E+01 3.626000E+01 -1034 1 1.631000E+01 7.100000E+00 8.830000E+00 -1035 1 1.934000E+01 7.420000E+00 2.788000E+01 -1036 1 2.025000E+01 2.075000E+01 4.015000E+01 -1037 1 2.824000E+01 9.520000E+00 1.630000E+01 -1038 1 3.989000E+01 3.390000E+01 2.986000E+01 -1039 1 2.294000E+01 4.790000E+00 1.448000E+01 -1040 1 4.019000E+01 2.327000E+01 3.411000E+01 -1041 1 3.940000E+00 2.697000E+01 2.054000E+01 -1042 1 1.789000E+01 9.490000E+00 6.520000E+00 -1043 1 2.719000E+01 3.389000E+01 3.250000E+01 -1044 1 2.649000E+01 2.743000E+01 4.230000E+00 -1045 1 1.330000E+00 2.940000E+01 3.013000E+01 -1046 1 3.535000E+01 7.110000E+00 2.989000E+01 -1047 1 2.787000E+01 2.802000E+01 1.162000E+01 -1048 1 1.347000E+01 1.450000E+00 2.050000E+01 -1049 1 3.466000E+01 4.150000E+00 2.072000E+01 -1050 1 2.759000E+01 3.805000E+01 1.863000E+01 -1051 1 2.095000E+01 6.790000E+00 3.055000E+01 -1052 1 2.306000E+01 4.640000E+00 2.881000E+01 -1053 1 1.007000E+01 4.480000E+00 9.390000E+00 -1054 1 1.015000E+01 1.046000E+01 3.502000E+01 -1055 1 3.088000E+01 3.307000E+01 3.856000E+01 -1056 1 2.231000E+01 1.040000E+01 1.146000E+01 -1057 1 2.929000E+01 3.853000E+01 3.949000E+01 -1058 1 1.854000E+01 1.947000E+01 6.520000E+00 -1059 1 2.403000E+01 2.653000E+01 1.121000E+01 -1060 1 3.800000E+01 2.400000E+00 3.421000E+01 -1061 1 6.580000E+00 2.857000E+01 9.530000E+00 -1062 1 4.490000E+00 3.065000E+01 3.451000E+01 -1063 1 3.653000E+01 3.394000E+01 1.567000E+01 -1064 1 2.440000E+00 9.340000E+00 3.483000E+01 -1065 1 3.460000E+00 1.150000E+01 3.806000E+01 -1066 1 2.549000E+01 2.264000E+01 2.415000E+01 -1067 1 1.379000E+01 1.752000E+01 9.020000E+00 -1068 1 2.549000E+01 5.930000E+00 3.170000E+00 -1069 1 2.217000E+01 2.260000E+01 1.850000E+00 -1070 1 6.090000E+00 2.440000E+00 1.047000E+01 -1071 1 1.302000E+01 5.270000E+00 4.540000E+00 -1072 1 5.730000E+00 3.967000E+01 3.079000E+01 -1073 1 3.165000E+01 3.579000E+01 7.390000E+00 -1074 1 1.633000E+01 3.326000E+01 2.629000E+01 -1075 1 2.980000E+01 1.057000E+01 2.904000E+01 -1076 1 3.549000E+01 3.290000E+00 1.411000E+01 -1077 1 8.450000E+00 1.779000E+01 1.943000E+01 -1078 1 1.337000E+01 3.361000E+01 3.931000E+01 -1079 1 2.140000E+01 1.651000E+01 3.171000E+01 -1080 1 1.546000E+01 1.432000E+01 1.942000E+01 -1081 1 2.476000E+01 6.300000E+00 1.785000E+01 -1082 1 4.200000E+00 1.800000E+01 2.192000E+01 -1083 1 1.934000E+01 3.368000E+01 9.130000E+00 -1084 1 3.580000E+00 1.281000E+01 1.377000E+01 -1085 1 3.595000E+01 1.280000E+00 3.766000E+01 -1086 1 2.502000E+01 3.406000E+01 3.411000E+01 -1087 1 3.642000E+01 2.752000E+01 1.059000E+01 -1088 1 2.228000E+01 3.248000E+01 1.165000E+01 -1089 1 1.361000E+01 1.065000E+01 2.154000E+01 -1090 1 4.050000E+00 2.082000E+01 2.820000E+00 -1091 1 3.283000E+01 7.500000E+00 3.904000E+01 -1092 1 3.332000E+01 3.896000E+01 2.900000E+01 -1093 1 1.987000E+01 1.390000E+00 1.983000E+01 -1094 1 2.039000E+01 3.180000E+01 3.345000E+01 -1095 1 1.746000E+01 6.920000E+00 2.017000E+01 -1096 1 1.084000E+01 2.573000E+01 2.256000E+01 -1097 1 2.710000E+01 2.340000E+01 1.489000E+01 -1098 1 1.000000E-01 4.290000E+00 2.696000E+01 -1099 1 6.400000E+00 1.850000E+01 4.014000E+01 -1100 1 2.334000E+01 2.521000E+01 1.682000E+01 -1101 1 2.029000E+01 1.331000E+01 2.654000E+01 -1102 1 3.414000E+01 1.391000E+01 1.841000E+01 -1103 1 2.984000E+01 3.839000E+01 4.600000E+00 -1104 1 2.570000E+01 1.898000E+01 2.920000E+00 -1105 1 3.812000E+01 3.690000E+01 2.990000E+00 -1106 1 3.477000E+01 1.278000E+01 3.741000E+01 -1107 1 2.619000E+01 8.990000E+00 3.811000E+01 -1108 1 2.288000E+01 3.753000E+01 1.554000E+01 -1109 1 9.580000E+00 1.119000E+01 2.883000E+01 -1110 1 2.885000E+01 3.501000E+01 3.864000E+01 -1111 1 3.804000E+01 2.327000E+01 1.392000E+01 -1112 1 3.221000E+01 1.475000E+01 4.019000E+01 -1113 1 2.298000E+01 3.750000E+00 2.336000E+01 -1114 1 3.079000E+01 2.918000E+01 2.843000E+01 -1115 1 2.192000E+01 3.333000E+01 2.466000E+01 -1116 1 3.105000E+01 1.491000E+01 2.302000E+01 -1117 1 1.463000E+01 1.740000E+01 1.902000E+01 -1118 1 5.160000E+00 1.431000E+01 1.833000E+01 -1119 1 3.748000E+01 3.474000E+01 1.228000E+01 -1120 1 1.928000E+01 2.761000E+01 1.711000E+01 -1121 1 3.456000E+01 2.111000E+01 1.480000E+01 -1122 1 3.947000E+01 1.284000E+01 2.774000E+01 -1123 1 3.109000E+01 1.864000E+01 1.692000E+01 -1124 1 1.101000E+01 3.502000E+01 2.637000E+01 -1125 1 6.450000E+00 8.300000E+00 3.935000E+01 -1126 1 1.102000E+01 3.965000E+01 3.741000E+01 -1127 1 3.034000E+01 2.946000E+01 1.600000E-01 -1128 1 5.820000E+00 2.265000E+01 3.620000E+00 -1129 1 1.668000E+01 3.081000E+01 2.721000E+01 -1130 1 3.337000E+01 3.333000E+01 3.704000E+01 -1131 1 8.670000E+00 1.893000E+01 3.462000E+01 -1132 1 5.250000E+00 2.861000E+01 3.655000E+01 -1133 1 3.401000E+01 2.099000E+01 3.105000E+01 -1134 1 1.878000E+01 6.930000E+00 3.430000E+00 -1135 1 1.820000E+01 2.042000E+01 1.970000E+01 -1136 1 3.604000E+01 1.869000E+01 2.686000E+01 -1137 1 7.900000E-01 2.344000E+01 7.790000E+00 -1138 1 1.429000E+01 2.965000E+01 2.851000E+01 -1139 1 2.285000E+01 2.852000E+01 6.800000E-01 -1140 1 1.117000E+01 3.682000E+01 2.353000E+01 -1141 1 2.882000E+01 3.799000E+01 9.160000E+00 -1142 1 4.028000E+01 9.430000E+00 1.387000E+01 -1143 1 5.200000E+00 2.358000E+01 3.807000E+01 -1144 1 1.787000E+01 1.770000E+00 3.866000E+01 -1145 1 5.650000E+00 3.737000E+01 2.922000E+01 -1146 1 2.560000E+00 3.544000E+01 1.994000E+01 -1147 1 3.677000E+01 2.009000E+01 2.316000E+01 -1148 1 1.355000E+01 1.968000E+01 5.330000E+00 -1149 1 1.637000E+01 2.384000E+01 9.270000E+00 -1150 1 3.193000E+01 4.010000E+01 3.606000E+01 -1151 1 3.170000E+01 3.120000E+01 5.860000E+00 -1152 1 2.779000E+01 1.944000E+01 6.280000E+00 -1153 1 2.472000E+01 3.992000E+01 2.727000E+01 -1154 1 2.030000E+01 2.963000E+01 2.512000E+01 -1155 1 3.187000E+01 3.400000E+00 3.720000E+01 -1156 1 2.517000E+01 8.650000E+00 1.247000E+01 -1157 1 1.124000E+01 1.631000E+01 3.400000E-01 -1158 1 1.664000E+01 1.285000E+01 2.707000E+01 -1159 1 4.510000E+00 2.920000E+01 2.199000E+01 -1160 1 5.080000E+00 3.390000E+00 3.060000E+01 -1161 1 2.670000E+01 2.982000E+01 3.829000E+01 -1162 1 2.712000E+01 2.265000E+01 9.090000E+00 -1163 1 3.638000E+01 3.170000E+01 5.510000E+00 -1164 1 2.496000E+01 1.438000E+01 1.584000E+01 -1165 1 1.659000E+01 3.052000E+01 1.874000E+01 -1166 1 1.083000E+01 2.998000E+01 2.351000E+01 -1167 1 3.754000E+01 3.751000E+01 3.049000E+01 -1168 1 3.229000E+01 2.187000E+01 3.982000E+01 -1169 1 3.652000E+01 2.556000E+01 1.345000E+01 -1170 1 3.551000E+01 4.010000E+01 1.011000E+01 -1171 1 2.740000E+00 1.585000E+01 3.276000E+01 -1172 1 3.376000E+01 2.291000E+01 1.852000E+01 -1173 1 2.598000E+01 3.266000E+01 2.092000E+01 -1174 1 3.882000E+01 1.360000E+00 1.439000E+01 -1175 1 2.282000E+01 1.660000E+01 2.088000E+01 -1176 1 1.938000E+01 7.990000E+00 2.275000E+01 -1177 1 1.095000E+01 1.666000E+01 4.800000E+00 -1178 1 3.468000E+01 1.184000E+01 2.623000E+01 -1179 1 3.108000E+01 2.838000E+01 1.891000E+01 -1180 1 3.415000E+01 7.750000E+00 1.679000E+01 -1181 1 3.713000E+01 1.988000E+01 5.110000E+00 -1182 1 2.110000E+00 3.913000E+01 3.360000E+00 -1183 1 2.311000E+01 3.560000E+01 6.700000E+00 -1184 1 2.552000E+01 3.364000E+01 7.380000E+00 -1185 1 1.535000E+01 1.344000E+01 1.084000E+01 -1186 1 6.340000E+00 1.187000E+01 1.055000E+01 -1187 1 1.725000E+01 1.950000E+01 1.471000E+01 -1188 1 4.015000E+01 1.317000E+01 1.957000E+01 -1189 1 3.513000E+01 3.980000E+00 3.989000E+01 -1190 1 2.488000E+01 2.747000E+01 3.122000E+01 -1191 1 9.150000E+00 2.214000E+01 3.258000E+01 -1192 1 2.424000E+01 1.200000E+01 6.930000E+00 -1193 1 3.965000E+01 1.413000E+01 1.342000E+01 -1194 1 3.927000E+01 1.600000E-01 4.270000E+00 -1195 1 2.271000E+01 3.680000E+00 1.178000E+01 -1196 1 2.294000E+01 7.560000E+00 1.360000E+00 -1197 1 1.907000E+01 1.235000E+01 1.466000E+01 -1198 1 1.544000E+01 5.110000E+00 1.966000E+01 -1199 1 2.580000E+01 2.601000E+01 2.841000E+01 -1200 1 4.280000E+00 3.770000E+01 2.640000E+01 -1201 1 2.765000E+01 2.761000E+01 5.000000E-01 -1202 1 3.100000E+01 2.392000E+01 3.257000E+01 -1203 1 3.931000E+01 2.020000E+01 2.697000E+01 -1204 1 2.428000E+01 2.482000E+01 3.084000E+01 -1205 1 1.408000E+01 1.666000E+01 1.350000E+00 -1206 1 1.547000E+01 3.540000E+01 3.676000E+01 -1207 1 3.507000E+01 2.395000E+01 1.057000E+01 -1208 1 3.648000E+01 8.430000E+00 9.010000E+00 -1209 1 2.923000E+01 1.604000E+01 1.253000E+01 -1210 1 1.365000E+01 9.500000E-01 1.787000E+01 -1211 1 1.272000E+01 2.981000E+01 7.750000E+00 -1212 1 1.840000E+00 2.728000E+01 3.907000E+01 -1213 1 1.120000E+00 1.518000E+01 1.694000E+01 -1214 1 3.563000E+01 9.240000E+00 3.370000E+00 -1215 1 1.424000E+01 2.757000E+01 2.428000E+01 -1216 1 5.890000E+00 1.033000E+01 5.660000E+00 -1217 1 9.570000E+00 3.371000E+01 3.266000E+01 -1218 1 2.773000E+01 1.012000E+01 2.509000E+01 -1219 1 3.792000E+01 3.945000E+01 2.844000E+01 -1220 1 5.150000E+00 1.463000E+01 2.636000E+01 -1221 1 3.328000E+01 3.381000E+01 2.108000E+01 -1222 1 8.140000E+00 2.831000E+01 2.295000E+01 -1223 1 1.308000E+01 3.189000E+01 3.179000E+01 -1224 1 4.870000E+00 3.625000E+01 1.928000E+01 -1225 1 1.535000E+01 3.519000E+01 1.842000E+01 -1226 1 1.529000E+01 1.635000E+01 2.662000E+01 -1227 1 1.112000E+01 2.849000E+01 1.917000E+01 -1228 1 1.693000E+01 8.820000E+00 3.693000E+01 -1229 1 3.550000E+00 8.000000E-02 4.940000E+00 -1230 1 1.206000E+01 3.431000E+01 3.570000E+01 -1231 1 5.870000E+00 5.960000E+00 4.430000E+00 -1232 1 3.294000E+01 1.180000E+00 3.710000E+00 -1233 1 2.256000E+01 7.940000E+00 1.246000E+01 -1234 1 1.547000E+01 2.903000E+01 3.290000E+01 -1235 1 7.720000E+00 1.020000E+00 2.322000E+01 -1236 1 2.902000E+01 2.914000E+01 8.300000E+00 -1237 1 1.436000E+01 3.453000E+01 3.256000E+01 -1238 1 2.781000E+01 3.972000E+01 3.000000E+00 -1239 1 2.858000E+01 2.193000E+01 3.591000E+01 -1240 1 2.391000E+01 2.270000E+01 1.922000E+01 -1241 1 1.600000E-01 2.370000E+00 3.034000E+01 -1242 1 2.127000E+01 3.586000E+01 3.348000E+01 -1243 1 2.298000E+01 1.863000E+01 2.466000E+01 -1244 1 2.380000E+00 1.022000E+01 2.573000E+01 -1245 1 2.251000E+01 1.543000E+01 1.045000E+01 -1246 1 1.938000E+01 3.690000E+00 7.760000E+00 -1247 1 1.976000E+01 6.120000E+00 3.336000E+01 -1248 1 2.334000E+01 3.926000E+01 2.133000E+01 -1249 1 3.026000E+01 2.779000E+01 5.850000E+00 -1250 1 2.347000E+01 8.300000E-01 3.432000E+01 -1251 1 3.707000E+01 4.440000E+00 2.697000E+01 -1252 1 1.840000E+01 2.950000E+00 2.370000E+01 -1253 1 2.758000E+01 3.078000E+01 1.500000E+01 -1254 1 3.211000E+01 1.728000E+01 2.356000E+01 -1255 1 1.314000E+01 1.152000E+01 2.412000E+01 -1256 1 5.890000E+00 2.665000E+01 3.327000E+01 -1257 1 1.501000E+01 2.282000E+01 2.825000E+01 -1258 1 1.249000E+01 3.631000E+01 7.180000E+00 -1259 1 5.500000E+00 2.406000E+01 9.120000E+00 -1260 1 1.059000E+01 4.300000E-01 3.199000E+01 -1261 1 3.132000E+01 3.683000E+01 2.740000E+00 -1262 1 1.165000E+01 2.439000E+01 1.650000E+00 -1263 1 1.434000E+01 6.550000E+00 6.850000E+00 -1264 1 7.480000E+00 2.303000E+01 7.160000E+00 -1265 1 3.002000E+01 2.488000E+01 2.780000E+00 -1266 1 4.010000E+01 2.802000E+01 3.485000E+01 -1267 1 1.400000E+00 2.684000E+01 1.046000E+01 -1268 1 2.590000E+01 2.991000E+01 3.237000E+01 -1269 1 2.170000E+01 3.797000E+01 2.319000E+01 -1270 1 3.904000E+01 1.949000E+01 2.990000E+00 -1271 1 2.555000E+01 4.360000E+00 1.111000E+01 -1272 1 2.977000E+01 2.702000E+01 1.584000E+01 -1273 1 1.501000E+01 3.299000E+01 2.369000E+01 -1274 1 1.219000E+01 2.916000E+01 3.926000E+01 -1275 1 2.820000E+01 3.847000E+01 2.768000E+01 -1276 1 2.101000E+01 1.450000E+01 2.000000E+01 -1277 1 5.330000E+00 1.646000E+01 2.920000E+01 -1278 1 3.312000E+01 3.543000E+01 2.790000E+01 -1279 1 1.800000E+01 1.098000E+01 1.700000E+01 -1280 1 7.030000E+00 3.831000E+01 1.719000E+01 -1281 1 1.319000E+01 9.240000E+00 1.075000E+01 -1282 1 3.920000E+00 7.200000E+00 1.115000E+01 -1283 1 3.650000E+00 2.979000E+01 1.546000E+01 -1284 1 3.500000E+00 3.072000E+01 3.912000E+01 -1285 1 3.430000E+00 1.000000E+00 2.804000E+01 -1286 1 3.679000E+01 8.930000E+00 1.675000E+01 -1287 1 3.414000E+01 7.190000E+00 2.456000E+01 -1288 1 6.710000E+00 1.730000E+01 1.122000E+01 -1289 1 1.709000E+01 2.770000E+01 1.262000E+01 -1290 1 3.694000E+01 1.546000E+01 1.331000E+01 -1291 1 2.718000E+01 2.792000E+01 1.645000E+01 -1292 1 2.908000E+01 3.329000E+01 3.528000E+01 -1293 1 3.268000E+01 2.537000E+01 3.058000E+01 -1294 1 1.485000E+01 1.259000E+01 1.325000E+01 -1295 1 8.820000E+00 3.261000E+01 4.007000E+01 -1296 1 3.998000E+01 1.613000E+01 2.972000E+01 -1297 1 3.139000E+01 2.758000E+01 3.560000E+00 -1298 1 3.836000E+01 3.975000E+01 3.901000E+01 -1299 1 1.090000E+00 4.980000E+00 1.548000E+01 -1300 1 1.421000E+01 3.173000E+01 5.250000E+00 -1301 1 3.944000E+01 1.907000E+01 6.630000E+00 -1302 1 1.319000E+01 2.388000E+01 3.310000E+01 -1303 1 1.448000E+01 2.150000E+01 1.276000E+01 -1304 1 2.870000E+01 1.075000E+01 3.650000E+00 -1305 1 6.410000E+00 1.970000E+01 9.590000E+00 -1306 1 1.254000E+01 3.653000E+01 3.732000E+01 -1307 1 3.622000E+01 3.267000E+01 3.146000E+01 -1308 1 3.814000E+01 3.510000E+00 2.927000E+01 -1309 1 3.172000E+01 1.006000E+01 3.114000E+01 -1310 1 4.270000E+00 3.802000E+01 1.210000E+01 -1311 1 2.905000E+01 3.354000E+01 4.750000E+00 -1312 1 2.541000E+01 1.406000E+01 2.628000E+01 -1313 1 1.076000E+01 4.920000E+00 3.349000E+01 -1314 1 2.420000E+01 1.290000E+00 3.290000E+00 -1315 1 2.271000E+01 3.960000E+01 2.526000E+01 -1316 1 2.240000E+00 3.942000E+01 8.460000E+00 -1317 1 2.018000E+01 1.189000E+01 2.936000E+01 -1318 1 6.670000E+00 3.647000E+01 3.150000E+00 -1319 1 1.217000E+01 3.813000E+01 1.310000E+00 -1320 1 2.958000E+01 8.560000E+00 2.654000E+01 -1321 1 6.460000E+00 1.124000E+01 3.265000E+01 -1322 1 3.173000E+01 4.810000E+00 3.261000E+01 -1323 1 1.022000E+01 7.550000E+00 2.677000E+01 -1324 1 1.739000E+01 1.514000E+01 4.980000E+00 -1325 1 1.226000E+01 2.119000E+01 2.735000E+01 -1326 1 3.404000E+01 6.900000E+00 3.635000E+01 -1327 1 2.650000E+01 3.732000E+01 5.370000E+00 -1328 1 3.277000E+01 4.990000E+00 1.680000E+01 -1329 1 1.502000E+01 1.545000E+01 7.820000E+00 -1330 1 7.740000E+00 2.527000E+01 3.585000E+01 -1331 1 1.992000E+01 3.187000E+01 1.825000E+01 -1332 1 3.401000E+01 6.910000E+00 2.720000E+01 -1333 1 2.875000E+01 2.100000E+00 2.223000E+01 -1334 1 2.556000E+01 2.718000E+01 2.141000E+01 -1335 1 4.860000E+00 3.796000E+01 4.027000E+01 -1336 1 4.010000E+00 2.570000E+01 1.649000E+01 -1337 1 2.580000E+00 2.737000E+01 1.471000E+01 -1338 1 2.040000E+01 4.770000E+00 2.774000E+01 -1339 1 2.217000E+01 2.430000E+01 8.960000E+00 -1340 1 2.120000E+01 1.712000E+01 1.479000E+01 -1341 1 2.385000E+01 1.226000E+01 1.738000E+01 -1342 1 2.168000E+01 3.595000E+01 2.633000E+01 -1343 1 3.779000E+01 2.744000E+01 2.254000E+01 -1344 1 3.197000E+01 8.010000E+00 1.350000E+00 -1345 1 1.345000E+01 1.666000E+01 2.972000E+01 -1346 1 2.106000E+01 1.860000E+01 5.840000E+00 -1347 1 2.651000E+01 1.600000E-01 3.379000E+01 -1348 1 1.457000E+01 4.990000E+00 3.677000E+01 -1349 1 2.559000E+01 1.070000E+01 3.575000E+01 -1350 1 3.456000E+01 3.082000E+01 1.151000E+01 -1351 1 2.127000E+01 6.240000E+00 6.000000E+00 -1352 1 6.170000E+00 3.078000E+01 3.640000E+00 -1353 1 1.606000E+01 2.608000E+01 3.980000E+01 -1354 1 2.043000E+01 3.960000E+00 2.226000E+01 -1355 1 3.570000E+00 1.118000E+01 1.740000E+01 -1356 1 2.415000E+01 3.418000E+01 1.358000E+01 -1357 1 2.250000E+01 1.542000E+01 7.510000E+00 -1358 1 2.400000E-01 2.390000E+00 1.615000E+01 -1359 1 1.864000E+01 3.642000E+01 2.140000E+01 -1360 1 3.561000E+01 2.350000E+00 1.924000E+01 -1361 1 1.393000E+01 2.400000E+01 4.011000E+01 -1362 1 2.980000E+01 5.650000E+00 3.999000E+01 -1363 1 6.930000E+00 2.818000E+01 2.740000E+00 -1364 1 2.728000E+01 8.100000E-01 3.012000E+01 -1365 1 2.297000E+01 3.893000E+01 3.844000E+01 -1366 1 1.987000E+01 3.658000E+01 5.510000E+00 -1367 1 1.177000E+01 2.127000E+01 3.189000E+01 -1368 1 3.160000E+01 1.245000E+01 3.217000E+01 -1369 1 3.270000E+01 1.684000E+01 1.796000E+01 -1370 1 2.535000E+01 2.905000E+01 1.800000E+01 -1371 1 2.630000E+00 4.370000E+00 1.343000E+01 -1372 1 1.124000E+01 1.275000E+01 1.044000E+01 -1373 1 1.947000E+01 1.880000E+01 2.250000E+00 -1374 1 3.409000E+01 4.040000E+00 5.220000E+00 -1375 1 1.379000E+01 1.329000E+01 4.620000E+00 -1376 1 1.963000E+01 1.086000E+01 3.570000E+00 -1377 1 1.305000E+01 1.861000E+01 3.700000E+01 -1378 1 5.910000E+00 3.479000E+01 7.090000E+00 -1379 1 2.664000E+01 3.274000E+01 1.313000E+01 -1380 1 3.940000E+00 3.429000E+01 3.908000E+01 -1381 1 4.960000E+00 1.359000E+01 3.255000E+01 -1382 1 2.380000E+01 1.574000E+01 3.517000E+01 -1383 1 9.930000E+00 1.304000E+01 3.540000E+01 -1384 1 8.350000E+00 2.658000E+01 1.746000E+01 -1385 1 2.680000E+01 1.073000E+01 3.069000E+01 -1386 1 2.992000E+01 1.538000E+01 2.555000E+01 -1387 1 2.805000E+01 1.774000E+01 3.190000E+00 -1388 1 3.191000E+01 3.929000E+01 6.120000E+00 -1389 1 3.335000E+01 1.971000E+01 1.050000E+00 -1390 1 2.216000E+01 1.137000E+01 2.750000E+00 -1391 1 2.882000E+01 1.110000E+01 7.400000E-01 -1392 1 7.640000E+00 3.850000E+01 3.779000E+01 -1393 1 3.707000E+01 2.949000E+01 3.358000E+01 -1394 1 2.828000E+01 9.070000E+00 1.356000E+01 -1395 1 1.108000E+01 6.850000E+00 8.000000E+00 -1396 1 1.787000E+01 1.364000E+01 9.840000E+00 -1397 1 2.900000E+01 3.620000E+01 1.090000E+00 -1398 1 9.170000E+00 3.214000E+01 1.168000E+01 -1399 1 1.810000E+01 9.150000E+00 9.360000E+00 -1400 1 2.430000E+00 2.545000E+01 1.760000E+00 -1401 1 2.090000E+00 3.653000E+01 1.733000E+01 -1402 1 9.260000E+00 2.339000E+01 4.100000E-01 -1403 1 3.103000E+01 5.880000E+00 8.890000E+00 -1404 1 3.511000E+01 2.325000E+01 1.322000E+01 -1405 1 1.774000E+01 2.442000E+01 4.870000E+00 -1406 1 3.054000E+01 1.328000E+01 1.581000E+01 -1407 1 3.084000E+01 2.721000E+01 3.022000E+01 -1408 1 3.960000E+00 3.703000E+01 3.776000E+01 -1409 1 2.184000E+01 1.208000E+01 3.655000E+01 -1410 1 2.615000E+01 1.950000E+01 1.868000E+01 -1411 1 3.420000E+00 7.500000E-01 3.176000E+01 -1412 1 3.223000E+01 2.681000E+01 3.401000E+01 -1413 1 2.986000E+01 2.995000E+01 2.098000E+01 -1414 1 2.076000E+01 2.310000E+01 2.351000E+01 -1415 1 2.757000E+01 1.960000E+00 1.832000E+01 -1416 1 2.290000E+01 1.656000E+01 1.825000E+01 -1417 1 3.730000E+00 3.849000E+01 2.385000E+01 -1418 1 2.070000E+00 3.006000E+01 3.690000E+01 -1419 1 2.486000E+01 3.901000E+01 3.640000E+00 -1420 1 6.690000E+00 1.080000E+00 1.762000E+01 -1421 1 2.810000E+01 3.061000E+01 2.849000E+01 -1422 1 1.667000E+01 2.217000E+01 3.643000E+01 -1423 1 1.246000E+01 3.921000E+01 3.348000E+01 -1424 1 1.620000E+00 1.527000E+01 2.182000E+01 -1425 1 8.390000E+00 2.229000E+01 2.910000E+00 -1426 1 4.960000E+00 1.722000E+01 3.227000E+01 -1427 1 1.097000E+01 3.120000E+00 3.136000E+01 -1428 1 1.470000E+00 3.810000E+01 2.636000E+01 -1429 1 9.630000E+00 1.670000E+00 3.791000E+01 -1430 1 1.733000E+01 9.980000E+00 3.389000E+01 -1431 1 1.300000E-01 1.829000E+01 5.300000E-01 -1432 1 1.720000E+01 2.888000E+01 3.760000E+00 -1433 1 3.608000E+01 1.331000E+01 1.390000E+00 -1434 1 3.466000E+01 2.952000E+01 2.841000E+01 -1435 1 2.257000E+01 9.070000E+00 3.054000E+01 -1436 1 8.100000E+00 2.772000E+01 3.451000E+01 -1437 1 1.917000E+01 2.970000E+01 3.244000E+01 -1438 1 2.160000E+00 9.940000E+00 1.380000E+00 -1439 1 1.853000E+01 1.426000E+01 2.321000E+01 -1440 1 2.528000E+01 3.675000E+01 3.157000E+01 -1441 1 2.960000E+00 2.813000E+01 3.537000E+01 -1442 1 5.020000E+00 4.000000E-01 1.215000E+01 -1443 1 1.564000E+01 3.659000E+01 2.433000E+01 -1444 1 3.000000E+00 3.658000E+01 1.670000E+00 -1445 1 3.501000E+01 1.470000E+01 3.992000E+01 -1446 1 2.720000E+01 3.610000E+00 6.250000E+00 -1447 1 3.294000E+01 3.124000E+01 3.537000E+01 -1448 1 5.810000E+00 2.759000E+01 1.464000E+01 -1449 1 3.810000E+01 3.890000E+01 8.600000E+00 -1450 1 4.022000E+01 5.010000E+00 7.200000E+00 -1451 1 2.377000E+01 3.116000E+01 3.824000E+01 -1452 1 3.817000E+01 1.637000E+01 5.570000E+00 -1453 1 3.050000E+00 2.772000E+01 3.266000E+01 -1454 1 3.022000E+01 3.328000E+01 1.495000E+01 -1455 1 6.080000E+00 1.196000E+01 2.602000E+01 -1456 1 2.198000E+01 3.821000E+01 6.410000E+00 -1457 1 3.644000E+01 7.460000E+00 3.733000E+01 -1458 1 1.589000E+01 3.311000E+01 3.883000E+01 -1459 1 3.532000E+01 1.931000E+01 2.946000E+01 -1460 1 2.519000E+01 1.542000E+01 1.105000E+01 -1461 1 7.320000E+00 1.694000E+01 1.880000E+00 -1462 1 1.205000E+01 2.463000E+01 1.075000E+01 -1463 1 1.325000E+01 2.868000E+01 1.600000E+00 -1464 1 2.294000E+01 2.149000E+01 3.254000E+01 -1465 1 1.392000E+01 7.080000E+00 2.761000E+01 -1466 1 3.159000E+01 3.295000E+01 3.362000E+01 -1467 1 1.675000E+01 6.980000E+00 1.550000E+00 -1468 1 4.680000E+00 4.700000E-01 8.310000E+00 -1469 1 2.746000E+01 3.543000E+01 3.680000E+00 -1470 1 2.042000E+01 2.320000E+01 3.005000E+01 -1471 1 3.860000E+01 1.418000E+01 1.530000E+00 -1472 1 2.749000E+01 3.548000E+01 2.641000E+01 -1473 1 1.658000E+01 2.845000E+01 1.001000E+01 -1474 1 2.232000E+01 3.803000E+01 2.870000E+00 -1475 1 2.061000E+01 3.710000E+00 3.526000E+01 -1476 1 9.570000E+00 1.493000E+01 3.136000E+01 -1477 1 4.630000E+00 1.600000E+00 1.140000E+00 -1478 1 3.290000E+00 7.150000E+00 3.688000E+01 -1479 1 5.330000E+00 3.326000E+01 2.706000E+01 -1480 1 1.874000E+01 2.017000E+01 3.637000E+01 -1481 1 1.154000E+01 1.770000E+00 8.630000E+00 -1482 1 2.200000E-01 1.175000E+01 9.020000E+00 -1483 1 1.778000E+01 1.796000E+01 8.780000E+00 -1484 1 8.550000E+00 1.950000E+01 1.572000E+01 -1485 1 1.368000E+01 9.410000E+00 3.781000E+01 -1486 1 5.060000E+00 2.528000E+01 1.760000E+00 -1487 1 1.348000E+01 7.750000E+00 3.034000E+01 -1488 1 1.100000E-01 3.838000E+01 1.051000E+01 -1489 1 7.400000E-01 2.262000E+01 2.198000E+01 -1490 1 1.359000E+01 1.589000E+01 3.418000E+01 -1491 1 2.760000E+01 5.130000E+00 3.155000E+01 -1492 1 8.070000E+00 3.178000E+01 1.642000E+01 -1493 1 3.561000E+01 2.099000E+01 4.011000E+01 -1494 1 1.933000E+01 1.870000E+00 3.318000E+01 -1495 1 3.815000E+01 2.150000E+01 5.100000E-01 -1496 1 1.389000E+01 3.694000E+01 1.196000E+01 -1497 1 9.190000E+00 2.380000E+01 1.214000E+01 -1498 1 1.472000E+01 2.570000E+01 2.248000E+01 -1499 1 9.430000E+00 6.980000E+00 1.543000E+01 -1500 1 3.500000E+01 1.781000E+01 3.705000E+01 -1501 1 3.357000E+01 1.549000E+01 1.559000E+01 -1502 1 1.196000E+01 3.850000E+01 5.740000E+00 -1503 1 9.320000E+00 2.848000E+01 2.568000E+01 -1504 1 1.820000E+00 8.920000E+00 3.910000E+00 -1505 1 6.640000E+00 1.783000E+01 4.430000E+00 -1506 1 1.285000E+01 3.971000E+01 9.180000E+00 -1507 1 8.750000E+00 3.740000E+00 5.670000E+00 -1508 1 1.418000E+01 1.894000E+01 1.328000E+01 -1509 1 3.084000E+01 1.262000E+01 3.479000E+01 -1510 1 3.272000E+01 2.918000E+01 1.780000E+00 -1511 1 2.370000E+00 1.336000E+01 5.600000E+00 -1512 1 2.893000E+01 6.660000E+00 1.092000E+01 -1513 1 4.600000E-01 1.000000E-01 1.299000E+01 -1514 1 1.375000E+01 2.610000E+00 4.080000E+00 -1515 1 2.833000E+01 3.156000E+01 2.518000E+01 -1516 1 1.641000E+01 2.219000E+01 5.640000E+00 -1517 1 3.764000E+01 9.750000E+00 3.632000E+01 -1518 1 1.009000E+01 3.697000E+01 3.843000E+01 -1519 1 1.439000E+01 3.326000E+01 3.508000E+01 -1520 1 4.320000E+00 4.370000E+00 2.500000E+00 -1521 1 9.200000E+00 2.266000E+01 9.410000E+00 -1522 1 8.290000E+00 2.166000E+01 3.791000E+01 -1523 1 2.775000E+01 1.574000E+01 7.580000E+00 -1524 1 3.112000E+01 1.926000E+01 1.035000E+01 -1525 1 2.905000E+01 1.047000E+01 2.138000E+01 -1526 1 2.190000E+01 9.510000E+00 3.525000E+01 -1527 1 3.581000E+01 2.896000E+01 1.660000E+00 -1528 1 9.700000E-01 3.178000E+01 1.872000E+01 -1529 1 7.040000E+00 5.100000E+00 9.470000E+00 -1530 1 3.515000E+01 1.636000E+01 2.275000E+01 -1531 1 1.136000E+01 2.126000E+01 3.580000E+01 -1532 1 2.387000E+01 1.600000E+00 2.197000E+01 -1533 1 1.347000E+01 8.830000E+00 5.600000E-01 -1534 1 3.177000E+01 1.369000E+01 2.890000E+01 -1535 1 1.407000E+01 2.034000E+01 2.640000E+00 -1536 1 3.052000E+01 1.010000E+01 8.730000E+00 -1537 1 3.484000E+01 1.526000E+01 3.368000E+01 -1538 1 2.878000E+01 1.497000E+01 3.620000E+01 -1539 1 1.971000E+01 2.704000E+01 1.131000E+01 -1540 1 6.930000E+00 3.917000E+01 1.046000E+01 -1541 1 2.469000E+01 1.259000E+01 2.390000E+01 -1542 1 1.780000E+00 2.473000E+01 1.754000E+01 -1543 1 3.880000E+01 5.180000E+00 1.822000E+01 -1544 1 1.251000E+01 3.104000E+01 3.040000E+00 -1545 1 2.450000E+01 2.044000E+01 2.614000E+01 -1546 1 1.047000E+01 3.333000E+01 7.610000E+00 -1547 1 7.280000E+00 7.750000E+00 5.920000E+00 -1548 1 2.830000E+00 2.413000E+01 3.270000E+01 -1549 1 1.217000E+01 2.309000E+01 2.254000E+01 -1550 1 2.141000E+01 3.446000E+01 2.861000E+01 -1551 1 3.979000E+01 1.027000E+01 2.290000E+00 -1552 1 7.000000E-01 2.459000E+01 2.969000E+01 -1553 1 1.352000E+01 1.136000E+01 2.727000E+01 -1554 1 3.741000E+01 3.061000E+01 2.193000E+01 -1555 1 2.734000E+01 2.234000E+01 2.685000E+01 -1556 1 2.172000E+01 2.230000E+00 8.240000E+00 -1557 1 3.788000E+01 1.843000E+01 2.492000E+01 -1558 1 6.350000E+00 3.578000E+01 3.374000E+01 -1559 1 2.286000E+01 2.200000E+00 3.186000E+01 -1560 1 3.322000E+01 4.590000E+00 2.710000E+00 -1561 1 1.315000E+01 1.466000E+01 1.008000E+01 -1562 1 2.883000E+01 2.383000E+01 3.093000E+01 -1563 1 1.278000E+01 1.185000E+01 3.666000E+01 -1564 1 4.220000E+00 1.916000E+01 5.310000E+00 -1565 1 2.612000E+01 6.230000E+00 2.050000E+01 -1566 1 1.400000E+00 1.401000E+01 3.426000E+01 -1567 1 5.210000E+00 2.573000E+01 2.616000E+01 -1568 1 1.423000E+01 1.097000E+01 3.458000E+01 -1569 1 1.777000E+01 2.522000E+01 1.154000E+01 -1570 1 3.381000E+01 6.400000E+00 1.077000E+01 -1571 1 1.508000E+01 4.400000E-01 3.908000E+01 -1572 1 6.730000E+00 3.688000E+01 9.070000E+00 -1573 1 2.040000E+01 2.065000E+01 1.584000E+01 -1574 1 1.844000E+01 9.810000E+00 2.893000E+01 -1575 1 1.950000E+00 6.940000E+00 2.815000E+01 -1576 1 9.500000E+00 2.587000E+01 9.680000E+00 -1577 1 3.990000E+00 2.400000E+00 1.982000E+01 -1578 1 2.900000E+01 3.571000E+01 3.371000E+01 -1579 1 3.817000E+01 1.882000E+01 2.905000E+01 -1580 1 1.229000E+01 1.288000E+01 1.493000E+01 -1581 1 2.226000E+01 1.038000E+01 2.000000E-01 -1582 1 8.750000E+00 1.312000E+01 2.703000E+01 -1583 1 9.670000E+00 3.071000E+01 1.930000E+00 -1584 1 1.697000E+01 2.436000E+01 2.133000E+01 -1585 1 3.249000E+01 3.746000E+01 3.428000E+01 -1586 1 2.899000E+01 3.809000E+01 1.194000E+01 -1587 1 3.445000E+01 2.889000E+01 9.390000E+00 -1588 1 1.401000E+01 2.116000E+01 3.661000E+01 -1589 1 8.700000E-01 2.382000E+01 3.668000E+01 -1590 1 3.915000E+01 7.480000E+00 1.593000E+01 -1591 1 1.036000E+01 1.030000E+01 3.190000E+01 -1592 1 4.220000E+00 1.625000E+01 1.119000E+01 -1593 1 3.389000E+01 1.780000E+00 2.755000E+01 -1594 1 1.246000E+01 8.160000E+00 3.565000E+01 -1595 1 3.811000E+01 1.320000E+01 4.170000E+00 -1596 1 2.947000E+01 6.310000E+00 3.321000E+01 -1597 1 1.444000E+01 2.160000E+01 7.480000E+00 -1598 1 3.360000E+01 2.825000E+01 1.814000E+01 -1599 1 6.400000E-01 3.160000E+01 2.619000E+01 -1600 1 2.477000E+01 2.643000E+01 1.880000E+01 -1601 1 1.755000E+01 2.823000E+01 3.460000E+01 -1602 1 3.945000E+01 2.520000E+01 1.824000E+01 -1603 1 3.013000E+01 2.077000E+01 1.514000E+01 -1604 1 2.459000E+01 3.660000E+01 3.478000E+01 -1605 1 2.318000E+01 9.770000E+00 3.799000E+01 -1606 1 3.523000E+01 9.760000E+00 1.120000E+01 -1607 1 3.625000E+01 3.149000E+01 8.750000E+00 -1608 1 3.202000E+01 7.500000E+00 7.090000E+00 -1609 1 1.357000E+01 3.376000E+01 2.663000E+01 -1610 1 2.101000E+01 1.504000E+01 1.717000E+01 -1611 1 2.895000E+01 4.980000E+00 2.930000E+01 -1612 1 3.817000E+01 2.899000E+01 3.097000E+01 -1613 1 3.765000E+01 3.460000E+00 3.898000E+01 -1614 1 2.575000E+01 4.890000E+00 2.528000E+01 -1615 1 3.599000E+01 1.568000E+01 1.927000E+01 -1616 1 2.431000E+01 5.700000E+00 3.397000E+01 -1617 1 2.130000E+00 2.891000E+01 6.330000E+00 -1618 1 3.190000E+00 5.440000E+00 3.909000E+01 -1619 1 2.340000E+00 3.554000E+01 2.575000E+01 -1620 1 1.124000E+01 7.820000E+00 3.241000E+01 -1621 1 5.200000E-01 5.850000E+00 3.887000E+01 -1622 1 8.370000E+00 6.440000E+00 3.862000E+01 -1623 1 1.790000E+00 3.708000E+01 2.244000E+01 -1624 1 1.278000E+01 2.651000E+01 1.812000E+01 -1625 1 2.391000E+01 2.164000E+01 1.222000E+01 -1626 1 2.356000E+01 1.921000E+01 7.060000E+00 -1627 1 3.853000E+01 3.246000E+01 3.819000E+01 -1628 1 6.430000E+00 2.372000E+01 3.407000E+01 -1629 1 1.055000E+01 2.012000E+01 5.500000E+00 -1630 1 2.635000E+01 1.908000E+01 3.655000E+01 -1631 1 1.615000E+01 5.330000E+00 1.680000E+01 -1632 1 2.050000E+01 2.713000E+01 2.675000E+01 -1633 1 2.450000E+00 1.850000E+00 1.185000E+01 -1634 1 3.842000E+01 1.927000E+01 1.340000E+01 -1635 1 3.560000E+01 2.991000E+01 3.746000E+01 -1636 1 1.205000E+01 1.955000E+01 3.382000E+01 -1637 1 3.346000E+01 1.793000E+01 3.918000E+01 -1638 1 1.804000E+01 1.845000E+01 2.919000E+01 -1639 1 2.013000E+01 3.484000E+01 1.485000E+01 -1640 1 1.857000E+01 2.674000E+01 2.141000E+01 -1641 1 1.780000E+00 3.457000E+01 3.455000E+01 -1642 1 1.133000E+01 5.160000E+00 2.104000E+01 -1643 1 8.710000E+00 2.148000E+01 2.817000E+01 -1644 1 2.564000E+01 2.289000E+01 3.583000E+01 -1645 1 1.795000E+01 2.480000E+01 3.808000E+01 -1646 1 2.110000E+00 2.141000E+01 3.274000E+01 -1647 1 3.600000E+01 1.830000E+01 2.078000E+01 -1648 1 1.551000E+01 4.011000E+01 5.650000E+00 -1649 1 3.445000E+01 3.825000E+01 6.640000E+00 -1650 1 2.430000E+00 3.178000E+01 2.884000E+01 -1651 1 3.040000E+01 1.860000E+00 3.503000E+01 -1652 1 2.811000E+01 8.440000E+00 2.985000E+01 -1653 1 1.467000E+01 1.845000E+01 3.386000E+01 -1654 1 3.925000E+01 6.950000E+00 3.398000E+01 -1655 1 3.377000E+01 2.648000E+01 6.800000E+00 -1656 1 4.520000E+00 2.755000E+01 3.924000E+01 -1657 1 2.454000E+01 3.519000E+01 2.140000E+00 -1658 1 3.307000E+01 3.625000E+01 4.980000E+00 -1659 1 3.070000E+00 3.100000E+00 1.713000E+01 -1660 1 3.759000E+01 1.688000E+01 3.333000E+01 -1661 1 9.100000E+00 3.988000E+01 4.560000E+00 -1662 1 2.423000E+01 8.630000E+00 3.409000E+01 -1663 1 3.720000E+01 2.865000E+01 2.818000E+01 -1664 1 9.920000E+00 1.170000E+00 2.153000E+01 -1665 1 5.900000E+00 1.950000E+00 2.841000E+01 -1666 1 3.709000E+01 1.570000E+01 2.824000E+01 -1667 1 3.722000E+01 7.380000E+00 2.617000E+01 -1668 1 3.050000E+00 2.716000E+01 8.050000E+00 -1669 1 1.669000E+01 3.698000E+01 1.056000E+01 -1670 1 3.190000E+00 9.160000E+00 7.780000E+00 -1671 1 2.651000E+01 2.454000E+01 1.986000E+01 -1672 1 2.637000E+01 1.740000E+00 2.675000E+01 -1673 1 2.998000E+01 3.964000E+01 1.620000E+01 -1674 1 1.909000E+01 1.974000E+01 2.647000E+01 -1675 1 1.444000E+01 2.134000E+01 3.925000E+01 -1676 1 6.450000E+00 3.316000E+01 3.692000E+01 -1677 1 1.319000E+01 2.623000E+01 3.686000E+01 -1678 1 2.803000E+01 2.920000E+01 3.413000E+01 -1679 1 2.336000E+01 1.011000E+01 1.954000E+01 -1680 1 2.556000E+01 1.220000E+01 3.832000E+01 -1681 1 2.229000E+01 2.916000E+01 2.311000E+01 -1682 1 3.942000E+01 3.332000E+01 1.121000E+01 -1683 1 2.733000E+01 1.537000E+01 2.445000E+01 -1684 1 1.812000E+01 3.589000E+01 3.707000E+01 -1685 1 1.044000E+01 2.163000E+01 1.333000E+01 -1686 1 2.497000E+01 1.248000E+01 2.150000E+00 -1687 1 2.822000E+01 2.474000E+01 8.800000E-01 -1688 1 2.875000E+01 1.143000E+01 3.599000E+01 -1689 1 1.142000E+01 2.230000E+00 2.508000E+01 -1690 1 2.919000E+01 1.269000E+01 5.180000E+00 -1691 1 3.500000E+00 2.240000E+00 3.905000E+01 -1692 1 2.187000E+01 1.219000E+01 2.446000E+01 -1693 1 1.705000E+01 5.650000E+00 1.264000E+01 -1694 1 1.888000E+01 3.955000E+01 2.936000E+01 -1695 1 1.288000E+01 8.860000E+00 1.602000E+01 -1696 1 1.724000E+01 1.053000E+01 1.660000E+00 -1697 1 2.829000E+01 6.300000E-01 1.257000E+01 -1698 1 2.346000E+01 1.376000E+01 3.924000E+01 -1699 1 2.246000E+01 3.885000E+01 3.055000E+01 -1700 1 9.180000E+00 2.009000E+01 9.260000E+00 -1701 1 3.654000E+01 2.511000E+01 1.799000E+01 -1702 1 1.297000E+01 2.850000E+01 2.644000E+01 -1703 1 2.678000E+01 8.660000E+00 2.131000E+01 -1704 1 1.525000E+01 1.230000E+01 6.700000E-01 -1705 1 4.003000E+01 6.860000E+00 2.565000E+01 -1706 1 2.540000E+00 2.277000E+01 3.831000E+01 -1707 1 3.055000E+01 4.690000E+00 1.134000E+01 -1708 1 9.390000E+00 8.790000E+00 1.818000E+01 -1709 1 2.059000E+01 4.900000E-01 1.360000E+00 -1710 1 2.695000E+01 3.643000E+01 1.245000E+01 -1711 1 2.780000E+00 2.471000E+01 6.670000E+00 -1712 1 3.233000E+01 4.870000E+00 3.930000E+01 -1713 1 3.906000E+01 1.200000E+00 2.692000E+01 -1714 1 2.170000E+01 1.590000E+00 2.602000E+01 -1715 1 1.250000E+01 6.840000E+00 2.030000E+00 -1716 1 2.013000E+01 2.539000E+01 3.270000E+00 -1717 1 2.575000E+01 2.447000E+01 3.931000E+01 -1718 1 2.806000E+01 3.913000E+01 6.600000E+00 -1719 1 3.321000E+01 1.275000E+01 6.310000E+00 -1720 1 1.335000E+01 1.245000E+01 1.926000E+01 -1721 1 2.568000E+01 3.640000E+01 7.660000E+00 -1722 1 9.700000E-01 1.674000E+01 2.402000E+01 -1723 1 3.637000E+01 1.364000E+01 3.056000E+01 -1724 1 1.406000E+01 3.772000E+01 3.148000E+01 -1725 1 3.019000E+01 2.769000E+01 3.261000E+01 -1726 1 3.516000E+01 3.715000E+01 3.827000E+01 -1727 1 1.748000E+01 1.960000E+01 1.160000E+01 -1728 1 1.846000E+01 2.165000E+01 9.830000E+00 -1729 1 2.400000E+01 1.108000E+01 9.510000E+00 -1730 1 2.802000E+01 2.607000E+01 2.209000E+01 -1731 1 1.259000E+01 1.397000E+01 3.003000E+01 -1732 1 2.862000E+01 4.430000E+00 2.085000E+01 -1733 1 4.460000E+00 3.632000E+01 1.409000E+01 -1734 1 3.450000E+01 2.260000E+00 2.344000E+01 -1735 1 1.382000E+01 1.144000E+01 1.661000E+01 -1736 1 5.300000E-01 2.182000E+01 3.018000E+01 -1737 1 4.340000E+00 3.899000E+01 1.785000E+01 -1738 1 1.810000E+00 3.137000E+01 1.155000E+01 -1739 1 1.918000E+01 1.017000E+01 3.683000E+01 -1740 1 9.850000E+00 1.740000E+01 2.490000E+00 -1741 1 1.590000E+01 2.014000E+01 2.892000E+01 -1742 1 3.247000E+01 3.502000E+01 1.348000E+01 -1743 1 4.860000E+00 2.190000E+00 2.418000E+01 -1744 1 3.659000E+01 7.050000E+00 5.770000E+00 -1745 1 2.973000E+01 3.784000E+01 2.522000E+01 -1746 1 2.486000E+01 1.655000E+01 6.790000E+00 -1747 1 6.670000E+00 4.340000E+00 9.500000E-01 -1748 1 1.712000E+01 1.086000E+01 1.260000E+01 -1749 1 6.540000E+00 3.900000E-01 1.445000E+01 -1750 1 3.619000E+01 1.766000E+01 1.223000E+01 -1751 1 1.913000E+01 1.603000E+01 2.980000E+01 -1752 1 1.849000E+01 3.419000E+01 2.948000E+01 -1753 1 2.348000E+01 3.249000E+01 2.717000E+01 -1754 1 2.548000E+01 5.370000E+00 2.971000E+01 -1755 1 2.172000E+01 3.547000E+01 2.350000E+00 -1756 1 1.574000E+01 8.970000E+00 2.768000E+01 -1757 1 2.262000E+01 1.982000E+01 9.520000E+00 -1758 1 2.746000E+01 1.683000E+01 1.884000E+01 -1759 1 1.144000E+01 3.645000E+01 3.426000E+01 -1760 1 3.298000E+01 2.106000E+01 3.349000E+01 -1761 1 5.250000E+00 1.928000E+01 3.035000E+01 -1762 1 6.300000E-01 1.250000E+01 2.530000E+01 -1763 1 9.400000E-01 1.665000E+01 1.941000E+01 -1764 1 1.082000E+01 2.477000E+01 2.503000E+01 -1765 1 2.280000E+00 2.330000E+00 2.390000E+00 -1766 1 4.002000E+01 4.001000E+01 2.991000E+01 -1767 1 1.660000E+01 3.330000E+00 2.148000E+01 -1768 1 1.935000E+01 6.840000E+00 1.167000E+01 -1769 1 1.072000E+01 1.611000E+01 2.903000E+01 -1770 1 2.711000E+01 3.258000E+01 3.736000E+01 -1771 1 2.850000E+01 7.330000E+00 3.782000E+01 -1772 1 2.094000E+01 3.183000E+01 2.010000E+00 -1773 1 1.675000E+01 1.975000E+01 2.478000E+01 -1774 1 7.740000E+00 1.220000E+00 3.048000E+01 -1775 1 1.595000E+01 4.029000E+01 1.457000E+01 -1776 1 3.644000E+01 1.568000E+01 7.500000E+00 -1777 1 3.895000E+01 2.472000E+01 4.001000E+01 -1778 1 1.380000E+00 1.794000E+01 2.928000E+01 -1779 1 3.220000E+00 3.290000E+01 8.260000E+00 -1780 1 3.617000E+01 3.785000E+01 1.173000E+01 -1781 1 1.069000E+01 1.774000E+01 2.524000E+01 -1782 1 1.614000E+01 1.690000E+00 2.742000E+01 -1783 1 2.514000E+01 1.900000E+01 3.252000E+01 -1784 1 1.745000E+01 2.930000E+01 2.496000E+01 -1785 1 3.321000E+01 4.022000E+01 8.670000E+00 -1786 1 2.966000E+01 3.301000E+01 3.181000E+01 -1787 1 1.331000E+01 1.131000E+01 2.400000E+00 -1788 1 8.890000E+00 1.479000E+01 2.137000E+01 -1789 1 3.566000E+01 3.528000E+01 3.652000E+01 -1790 1 3.735000E+01 1.192000E+01 1.096000E+01 -1791 1 3.360000E+01 2.954000E+01 4.820000E+00 -1792 1 1.115000E+01 2.559000E+01 3.225000E+01 -1793 1 3.132000E+01 2.833000E+01 3.790000E+01 -1794 1 1.190000E+00 1.581000E+01 7.000000E-01 -1795 1 1.856000E+01 2.268000E+01 1.798000E+01 -1796 1 3.294000E+01 4.810000E+00 3.516000E+01 -1797 1 3.802000E+01 1.726000E+01 1.693000E+01 -1798 1 2.040000E+01 3.594000E+01 4.023000E+01 -1799 1 9.300000E+00 2.855000E+01 3.863000E+01 -1800 1 9.360000E+00 1.686000E+01 3.854000E+01 -1801 1 1.280000E+01 6.540000E+00 2.445000E+01 -1802 1 2.370000E+00 4.027000E+01 1.901000E+01 -1803 1 2.906000E+01 1.402000E+01 5.900000E-01 -1804 1 1.776000E+01 1.308000E+01 1.941000E+01 -1805 1 2.507000E+01 2.350000E+00 3.028000E+01 -1806 1 3.982000E+01 2.348000E+01 1.195000E+01 -1807 1 3.519000E+01 2.357000E+01 2.474000E+01 -1808 1 3.429000E+01 8.730000E+00 6.230000E+00 -1809 1 1.530000E+00 2.867000E+01 1.236000E+01 -1810 1 6.780000E+00 3.438000E+01 3.128000E+01 -1811 1 2.726000E+01 1.453000E+01 3.880000E+01 -1812 1 1.550000E+01 1.497000E+01 3.016000E+01 -1813 1 8.100000E+00 1.239000E+01 3.094000E+01 -1814 1 2.568000E+01 3.996000E+01 2.365000E+01 -1815 1 1.689000E+01 3.979000E+01 3.122000E+01 -1816 1 5.090000E+00 1.760000E+01 1.576000E+01 -1817 1 1.208000E+01 7.970000E+00 1.855000E+01 -1818 1 3.058000E+01 1.607000E+01 3.210000E+01 -1819 1 2.125000E+01 1.535000E+01 3.423000E+01 -1820 1 3.765000E+01 2.319000E+01 3.189000E+01 -1821 1 3.334000E+01 8.090000E+00 1.414000E+01 -1822 1 1.188000E+01 2.877000E+01 3.491000E+01 -1823 1 3.550000E+01 3.490000E+01 4.560000E+00 -1824 1 3.913000E+01 3.114000E+01 3.342000E+01 -1825 1 1.413000E+01 6.370000E+00 1.086000E+01 -1826 1 3.283000E+01 3.270000E+01 2.100000E-01 -1827 1 1.939000E+01 3.919000E+01 1.671000E+01 -1828 1 2.796000E+01 7.160000E+00 1.817000E+01 -1829 1 3.993000E+01 7.720000E+00 2.884000E+01 -1830 1 2.421000E+01 1.850000E+01 2.216000E+01 -1831 1 2.020000E+01 2.950000E+01 6.580000E+00 -1832 1 2.442000E+01 1.847000E+01 1.490000E+01 -1833 1 1.147000E+01 3.184000E+01 3.898000E+01 -1834 1 4.028000E+01 8.290000E+00 3.143000E+01 -1835 1 2.108000E+01 2.404000E+01 1.882000E+01 -1836 1 3.810000E+01 1.056000E+01 4.260000E+00 -1837 1 3.573000E+01 1.000000E+00 5.380000E+00 -1838 1 2.222000E+01 2.716000E+01 9.020000E+00 -1839 1 3.159000E+01 3.808000E+01 9.170000E+00 -1840 1 3.800000E-01 3.962000E+01 1.735000E+01 -1841 1 1.787000E+01 3.647000E+01 1.850000E+01 -1842 1 2.036000E+01 3.717000E+01 2.874000E+01 -1843 1 2.341000E+01 8.270000E+00 1.640000E+01 -1844 1 3.000000E-02 3.900000E+00 1.260000E+00 -1845 1 2.710000E+01 8.220000E+00 4.250000E+00 -1846 1 2.366000E+01 1.866000E+01 8.300000E-01 -1847 1 1.576000E+01 8.180000E+00 3.938000E+01 -1848 1 3.188000E+01 3.540000E+00 2.061000E+01 -1849 1 1.290000E+01 1.954000E+01 3.000000E+01 -1850 1 1.485000E+01 1.040000E+00 2.991000E+01 -1851 1 1.851000E+01 3.678000E+01 2.594000E+01 -1852 1 2.624000E+01 3.060000E+00 1.558000E+01 -1853 1 3.924000E+01 3.449000E+01 1.527000E+01 -1854 1 3.210000E+00 6.620000E+00 6.430000E+00 -1855 1 5.410000E+00 1.136000E+01 3.553000E+01 -1856 1 3.661000E+01 3.311000E+01 2.536000E+01 -1857 1 5.570000E+00 8.200000E-01 3.565000E+01 -1858 1 1.049000E+01 3.328000E+01 3.019000E+01 -1859 1 7.730000E+00 1.702000E+01 2.246000E+01 -1860 1 3.585000E+01 1.798000E+01 6.350000E+00 -1861 1 2.886000E+01 3.490000E+00 4.270000E+00 -1862 1 2.747000E+01 3.870000E+01 3.198000E+01 -1863 1 1.700000E+00 3.540000E+01 4.007000E+01 -1864 1 5.500000E-01 1.921000E+01 1.775000E+01 -1865 1 2.096000E+01 3.016000E+01 1.527000E+01 -1866 1 1.844000E+01 1.621000E+01 3.494000E+01 -1867 1 3.465000E+01 3.493000E+01 2.428000E+01 -1868 1 1.211000E+01 2.377000E+01 1.886000E+01 -1869 1 3.870000E+01 3.101000E+01 2.706000E+01 -1870 1 3.814000E+01 1.502000E+01 2.090000E+01 -1871 1 2.744000E+01 6.160000E+00 1.375000E+01 -1872 1 3.002000E+01 3.709000E+01 3.162000E+01 -1873 1 1.150000E+00 2.778000E+01 2.136000E+01 -1874 1 3.644000E+01 1.673000E+01 3.066000E+01 -1875 1 1.287000E+01 2.362000E+01 3.770000E+01 -1876 1 1.185000E+01 3.817000E+01 1.808000E+01 -1877 1 2.347000E+01 3.306000E+01 9.350000E+00 -1878 1 1.964000E+01 9.700000E-01 4.610000E+00 -1879 1 7.420000E+00 3.815000E+01 3.236000E+01 -1880 1 2.014000E+01 3.887000E+01 1.179000E+01 -1881 1 3.820000E+00 5.500000E+00 2.936000E+01 -1882 1 9.780000E+00 1.925000E+01 3.726000E+01 -1883 1 3.490000E+00 2.258000E+01 1.048000E+01 -1884 1 2.490000E+00 4.002000E+01 3.716000E+01 -1885 1 2.331000E+01 3.465000E+01 3.216000E+01 -1886 1 3.424000E+01 3.044000E+01 7.240000E+00 -1887 1 3.263000E+01 2.463000E+01 9.450000E+00 -1888 1 1.900000E+01 3.387000E+01 3.913000E+01 -1889 1 1.298000E+01 2.100000E+01 2.478000E+01 -1890 1 4.660000E+00 1.164000E+01 2.001000E+01 -1891 1 8.660000E+00 1.968000E+01 3.490000E+00 -1892 1 3.391000E+01 3.492000E+01 8.690000E+00 -1893 1 1.517000E+01 3.302000E+01 1.216000E+01 -1894 1 6.180000E+00 3.916000E+01 2.259000E+01 -1895 1 1.852000E+01 2.288000E+01 3.203000E+01 -1896 1 1.905000E+01 3.223000E+01 6.490000E+00 -1897 1 9.770000E+00 1.761000E+01 1.277000E+01 -1898 1 2.610000E+01 3.758000E+01 2.540000E+01 -1899 1 2.390000E+00 3.675000E+01 1.053000E+01 -1900 1 8.360000E+00 1.743000E+01 6.530000E+00 -1901 1 2.823000E+01 1.711000E+01 2.806000E+01 -1902 1 5.350000E+00 6.730000E+00 2.541000E+01 -1903 1 3.550000E+01 1.965000E+01 2.970000E+00 -1904 1 3.121000E+01 2.204000E+01 1.890000E+00 -1905 1 1.863000E+01 9.320000E+00 1.485000E+01 -1906 1 2.233000E+01 3.000000E-02 4.780000E+00 -1907 1 2.608000E+01 3.149000E+01 5.060000E+00 -1908 1 3.112000E+01 1.725000E+01 2.705000E+01 -1909 1 1.776000E+01 3.282000E+01 3.413000E+01 -1910 1 2.572000E+01 7.650000E+00 2.505000E+01 -1911 1 6.210000E+00 6.950000E+00 2.819000E+01 -1912 1 4.017000E+01 1.496000E+01 1.018000E+01 -1913 1 1.221000E+01 1.925000E+01 1.672000E+01 -1914 1 2.248000E+01 3.717000E+01 1.079000E+01 -1915 1 1.144000E+01 3.481000E+01 1.522000E+01 -1916 1 1.109000E+01 3.150000E+01 9.400000E+00 -1917 1 7.050000E+00 1.754000E+01 1.385000E+01 -1918 1 1.539000E+01 3.066000E+01 3.746000E+01 -1919 1 9.780000E+00 2.493000E+01 1.945000E+01 -1920 1 2.155000E+01 2.014000E+01 3.036000E+01 -1921 1 2.627000E+01 1.994000E+01 1.207000E+01 -1922 1 1.927000E+01 7.270000E+00 1.826000E+01 -1923 1 1.879000E+01 3.570000E+01 3.430000E+01 -1924 1 2.097000E+01 1.404000E+01 2.410000E+00 -1925 1 7.430000E+00 3.211000E+01 2.874000E+01 -1926 1 3.223000E+01 2.498000E+01 1.243000E+01 -1927 1 3.034000E+01 2.710000E+01 2.332000E+01 -1928 1 2.535000E+01 2.886000E+01 1.108000E+01 -1929 1 2.469000E+01 1.790000E+01 9.410000E+00 -1930 1 2.729000E+01 1.739000E+01 3.872000E+01 -1931 1 1.462000E+01 1.766000E+01 1.618000E+01 -1932 1 2.636000E+01 2.520000E+00 3.791000E+01 -1933 1 3.723000E+01 1.258000E+01 3.390000E+01 -1934 1 2.390000E+00 3.449000E+01 6.190000E+00 -1935 1 3.512000E+01 2.505000E+01 3.450000E+00 -1936 1 1.540000E+01 1.715000E+01 3.580000E+00 -1937 1 2.794000E+01 4.620000E+00 1.701000E+01 -1938 1 3.736000E+01 2.940000E+01 4.100000E+00 -1939 1 8.540000E+00 3.099000E+01 3.167000E+01 -1940 1 3.295000E+01 9.760000E+00 3.737000E+01 -1941 1 3.131000E+01 1.453000E+01 2.660000E+00 -1942 1 3.097000E+01 2.230000E+00 4.007000E+01 -1943 1 2.284000E+01 1.487000E+01 1.404000E+01 -1944 1 1.652000E+01 7.380000E+00 3.470000E+01 -1945 1 3.885000E+01 1.276000E+01 3.047000E+01 -1946 1 2.190000E+01 3.253000E+01 3.989000E+01 -1947 1 9.730000E+00 2.930000E+01 2.916000E+01 -1948 1 9.940000E+00 2.907000E+01 4.120000E+00 -1949 1 1.190000E+00 1.979000E+01 2.460000E+01 -1950 1 9.110000E+00 3.736000E+01 2.585000E+01 -1951 1 1.398000E+01 3.498000E+01 1.410000E+01 -1952 1 2.461000E+01 4.540000E+00 3.690000E+01 -1953 1 2.442000E+01 1.181000E+01 3.066000E+01 -1954 1 1.450000E+01 3.678000E+01 1.617000E+01 -1955 1 4.290000E+00 3.034000E+01 1.083000E+01 -1956 1 3.091000E+01 3.558000E+01 1.665000E+01 -1957 1 3.978000E+01 2.183000E+01 5.820000E+00 -1958 1 2.088000E+01 1.798000E+01 6.000000E-02 -1959 1 1.122000E+01 1.952000E+01 1.430000E+00 -1960 1 2.802000E+01 7.800000E-01 3.607000E+01 -1961 1 4.170000E+00 1.698000E+01 5.000000E-02 -1962 1 2.842000E+01 1.480000E+01 3.340000E+00 -1963 1 2.181000E+01 7.510000E+00 3.770000E+00 -1964 1 3.611000E+01 2.040000E+01 1.695000E+01 -1965 1 3.023000E+01 3.286000E+01 1.530000E+00 -1966 1 4.480000E+00 2.643000E+01 2.905000E+01 -1967 1 1.683000E+01 3.526000E+01 3.156000E+01 -1968 1 1.940000E+00 5.440000E+00 2.230000E+01 -1969 1 9.040000E+00 3.510000E+01 1.158000E+01 -1970 1 1.770000E+01 2.642000E+01 2.703000E+01 -1971 1 3.857000E+01 2.051000E+01 3.124000E+01 -1972 1 7.100000E+00 2.992000E+01 1.491000E+01 -1973 1 5.650000E+00 3.046000E+01 2.999000E+01 -1974 1 1.350000E+01 5.300000E-01 3.686000E+01 -1975 1 3.550000E+01 9.410000E+00 2.492000E+01 -1976 1 3.505000E+01 2.131000E+01 2.675000E+01 -1977 1 1.567000E+01 1.046000E+01 3.034000E+01 -1978 1 1.478000E+01 3.745000E+01 2.196000E+01 -1979 1 3.800000E-01 3.909000E+01 2.115000E+01 -1980 1 2.131000E+01 9.730000E+00 2.169000E+01 -1981 1 1.924000E+01 2.112000E+01 1.348000E+01 -1982 1 1.861000E+01 3.049000E+01 1.008000E+01 -1983 1 3.514000E+01 5.950000E+00 1.891000E+01 -1984 1 3.828000E+01 1.015000E+01 3.113000E+01 -1985 1 2.987000E+01 9.100000E+00 3.284000E+01 -1986 1 3.806000E+01 1.669000E+01 9.930000E+00 -1987 1 3.625000E+01 3.150000E+00 3.690000E+00 -1988 1 1.120000E+01 1.831000E+01 1.908000E+01 -1989 1 1.729000E+01 1.204000E+01 3.186000E+01 -1990 1 2.065000E+01 1.251000E+01 2.196000E+01 -1991 1 3.660000E+00 1.325000E+01 3.220000E+00 -1992 1 3.760000E+01 4.830000E+00 8.060000E+00 -1993 1 3.707000E+01 5.360000E+00 3.269000E+01 -1994 1 2.071000E+01 2.979000E+01 2.930000E+01 -1995 1 5.900000E-01 3.394000E+01 1.640000E+00 -1996 1 3.053000E+01 7.920000E+00 1.475000E+01 -1997 1 1.812000E+01 1.180000E+00 1.559000E+01 -1998 1 1.635000E+01 2.170000E+00 3.428000E+01 -1999 1 3.770000E+01 1.321000E+01 1.713000E+01 -2000 1 1.345000E+01 3.422000E+01 4.590000E+00 -2001 1 6.390000E+00 7.100000E+00 1.604000E+01 -2002 1 2.936000E+01 2.284000E+01 3.840000E+01 -2003 1 2.132000E+01 1.267000E+01 1.311000E+01 -2004 1 3.830000E+00 1.482000E+01 3.601000E+01 -2005 1 3.017000E+01 3.080000E+00 3.063000E+01 -2006 1 5.670000E+00 2.356000E+01 1.549000E+01 -2007 1 2.568000E+01 1.509000E+01 2.150000E+00 -2008 1 3.750000E+01 5.240000E+00 3.576000E+01 -2009 1 4.020000E+01 6.800000E+00 3.420000E+00 -2010 1 7.520000E+00 4.850000E+00 2.242000E+01 -2011 1 9.120000E+00 1.100000E+00 1.607000E+01 -2012 1 3.420000E+01 3.660000E+00 9.460000E+00 -2013 1 1.500000E+00 4.630000E+00 1.097000E+01 -2014 1 8.710000E+00 3.340000E+00 1.196000E+01 -2015 1 1.524000E+01 4.090000E+00 3.273000E+01 -2016 1 3.619000E+01 2.718000E+01 5.430000E+00 -2017 1 3.464000E+01 3.084000E+01 1.802000E+01 -2018 1 3.812000E+01 2.797000E+01 1.283000E+01 -2019 1 1.100000E+01 3.628000E+01 3.115000E+01 -2020 1 1.196000E+01 4.770000E+00 3.605000E+01 -2021 1 2.456000E+01 1.463000E+01 2.922000E+01 -2022 1 3.370000E+00 1.203000E+01 3.398000E+01 -2023 1 2.095000E+01 1.951000E+01 1.167000E+01 -2024 1 7.290000E+00 3.550000E+00 3.223000E+01 -2025 1 1.255000E+01 2.448000E+01 7.530000E+00 -2026 1 8.020000E+00 3.410000E+00 1.872000E+01 -2027 1 1.272000E+01 2.208000E+01 1.634000E+01 -2028 1 2.495000E+01 7.100000E-01 1.731000E+01 -2029 1 1.877000E+01 6.440000E+00 3.718000E+01 -2030 1 1.307000E+01 3.171000E+01 2.130000E+01 -2031 1 7.780000E+00 2.693000E+01 4.990000E+00 -2032 1 2.468000E+01 1.657000E+01 4.060000E+00 -2033 1 1.011000E+01 2.092000E+01 2.196000E+01 -2034 1 1.853000E+01 2.212000E+01 7.060000E+00 -2035 1 1.012000E+01 5.650000E+00 4.570000E+00 -2036 1 3.418000E+01 1.482000E+01 2.907000E+01 -2037 1 3.052000E+01 1.917000E+01 2.514000E+01 -2038 1 3.050000E+01 8.230000E+00 1.743000E+01 -2039 1 3.790000E+00 1.501000E+01 1.572000E+01 -2040 1 6.640000E+00 4.770000E+00 3.640000E+01 -2041 1 7.250000E+00 1.136000E+01 3.650000E+00 -2042 1 3.843000E+01 1.134000E+01 2.400000E-01 -2043 1 1.824000E+01 2.348000E+01 2.447000E+01 -2044 1 3.782000E+01 4.890000E+00 2.427000E+01 -2045 1 1.455000E+01 3.351000E+01 8.510000E+00 -2046 1 1.213000E+01 1.013000E+01 5.290000E+00 -2047 1 1.491000E+01 3.854000E+01 7.660000E+00 -2048 1 3.424000E+01 1.661000E+01 2.545000E+01 -2049 1 6.710000E+00 3.793000E+01 1.432000E+01 -2050 1 3.840000E+00 1.933000E+01 2.429000E+01 -2051 1 5.700000E-01 3.471000E+01 2.379000E+01 -2052 1 3.556000E+01 3.795000E+01 2.740000E+01 -2053 1 6.480000E+00 1.991000E+01 2.495000E+01 -2054 1 3.000000E+01 2.298000E+01 2.647000E+01 -2055 1 1.057000E+01 1.534000E+01 1.510000E+01 -2056 1 6.830000E+00 1.818000E+01 3.757000E+01 -2057 1 1.961000E+01 2.792000E+01 4.360000E+00 -2058 1 1.999000E+01 1.749000E+01 3.711000E+01 -2059 1 6.520000E+00 3.406000E+01 1.856000E+01 -2060 1 2.003000E+01 4.008000E+01 7.370000E+00 -2061 1 1.647000E+01 1.287000E+01 3.846000E+01 -2062 1 1.188000E+01 2.675000E+01 3.140000E+00 -2063 1 3.070000E+01 8.620000E+00 1.174000E+01 -2064 1 7.650000E+00 2.423000E+01 2.152000E+01 -2065 1 3.066000E+01 1.515000E+01 1.777000E+01 -2066 1 9.030000E+00 2.920000E+01 1.074000E+01 -2067 1 2.170000E+01 5.990000E+00 1.078000E+01 -2068 1 2.112000E+01 6.610000E+00 2.084000E+01 -2069 1 1.844000E+01 1.560000E+01 3.228000E+01 -2070 1 8.050000E+00 2.401000E+01 2.487000E+01 -2071 1 1.931000E+01 1.304000E+01 3.612000E+01 -2072 1 3.055000E+01 3.181000E+01 1.144000E+01 -2073 1 2.670000E+01 3.999000E+01 1.013000E+01 -2074 1 3.010000E+00 3.455000E+01 1.576000E+01 -2075 1 1.197000E+01 3.352000E+01 1.999000E+01 -2076 1 7.530000E+00 3.550000E+01 2.745000E+01 -2077 1 6.260000E+00 2.133000E+01 3.595000E+01 -2078 1 3.640000E+00 1.123000E+01 1.010000E+01 -2079 1 3.208000E+01 3.646000E+01 2.263000E+01 -2080 1 2.974000E+01 3.693000E+01 2.101000E+01 -2081 1 3.843000E+01 1.063000E+01 1.834000E+01 -2082 1 1.259000E+01 1.919000E+01 2.240000E+01 -2083 1 1.861000E+01 3.866000E+01 3.746000E+01 -2084 1 3.072000E+01 2.510000E+00 2.531000E+01 -2085 1 1.811000E+01 3.599000E+01 7.630000E+00 -2086 1 1.513000E+01 4.009000E+01 3.336000E+01 -2087 1 1.111000E+01 1.203000E+01 7.930000E+00 -2088 1 1.400000E+01 2.710000E+00 4.600000E-01 -2089 1 8.820000E+00 7.960000E+00 3.614000E+01 -2090 1 2.054000E+01 3.935000E+01 3.947000E+01 -2091 1 4.016000E+01 3.491000E+01 4.170000E+00 -2092 1 5.450000E+00 7.670000E+00 1.850000E+01 -2093 1 2.836000E+01 1.260000E+01 2.475000E+01 -2094 1 3.201000E+01 2.872000E+01 2.179000E+01 -2095 1 3.032000E+01 1.611000E+01 2.945000E+01 -2096 1 2.493000E+01 2.700000E+01 2.410000E+01 -2097 1 2.096000E+01 3.122000E+01 2.710000E+01 -2098 1 1.995000E+01 1.826000E+01 3.333000E+01 -2099 1 1.625000E+01 3.130000E+01 8.000000E+00 -2100 1 1.063000E+01 1.206000E+01 1.804000E+01 -2101 1 1.247000E+01 1.196000E+01 3.214000E+01 -2102 1 3.433000E+01 3.517000E+01 1.640000E+01 -2103 1 2.322000E+01 3.050000E+00 1.655000E+01 -2104 1 3.519000E+01 8.700000E-01 3.234000E+01 -2105 1 1.722000E+01 1.723000E+01 1.978000E+01 -2106 1 2.480000E+01 3.750000E+01 6.700000E-01 -2107 1 3.973000E+01 3.731000E+01 2.819000E+01 -2108 1 1.546000E+01 1.690000E+01 2.411000E+01 -2109 1 1.067000E+01 1.007000E+01 1.075000E+01 -2110 1 3.864000E+01 1.058000E+01 2.272000E+01 -2111 1 3.115000E+01 9.980000E+00 2.317000E+01 -2112 1 2.253000E+01 1.992000E+01 1.380000E+01 -2113 1 1.176000E+01 1.405000E+01 3.903000E+01 -2114 1 1.018000E+01 9.280000E+00 8.030000E+00 -2115 1 1.445000E+01 2.184000E+01 3.200000E+01 -2116 1 1.692000E+01 2.470000E+01 1.871000E+01 -2117 1 2.841000E+01 2.090000E+01 1.081000E+01 -2118 1 1.582000E+01 9.670000E+00 1.823000E+01 -2119 1 3.260000E+00 4.080000E+00 3.358000E+01 -2120 1 3.262000E+01 2.107000E+01 3.990000E+00 -2121 1 1.652000E+01 1.218000E+01 3.564000E+01 -2122 1 2.648000E+01 2.505000E+01 2.501000E+01 -2123 1 3.168000E+01 8.160000E+00 2.482000E+01 -2124 1 1.468000E+01 1.968000E+01 2.087000E+01 -2125 1 1.103000E+01 2.608000E+01 6.010000E+00 -2126 1 1.102000E+01 1.184000E+01 2.603000E+01 -2127 1 3.776000E+01 3.770000E+00 1.490000E+00 -2128 1 2.031000E+01 2.734000E+01 6.700000E-01 -2129 1 3.770000E+00 3.563000E+01 4.170000E+00 -2130 1 4.490000E+00 2.167000E+01 1.302000E+01 -2131 1 3.730000E+00 2.565000E+01 1.098000E+01 -2132 1 3.893000E+01 2.628000E+01 3.085000E+01 -2133 1 1.716000E+01 7.780000E+00 1.678000E+01 -2134 1 3.330000E+01 3.916000E+01 1.899000E+01 -2135 1 3.264000E+01 4.210000E+00 2.427000E+01 -2136 1 1.114000E+01 8.100000E+00 2.329000E+01 -2137 1 1.026000E+01 8.900000E-01 2.724000E+01 -2138 1 2.257000E+01 2.754000E+01 3.789000E+01 -2139 1 2.495000E+01 2.840000E+01 3.687000E+01 -2140 1 3.977000E+01 2.981000E+01 5.800000E+00 -2141 1 2.256000E+01 3.840000E+00 6.270000E+00 -2142 1 7.580000E+00 1.410000E+01 3.520000E+00 -2143 1 1.702000E+01 3.918000E+01 9.200000E+00 -2144 1 2.898000E+01 1.973000E+01 3.924000E+01 -2145 1 4.020000E+01 1.529000E+01 2.723000E+01 -2146 1 7.220000E+00 2.652000E+01 2.819000E+01 -2147 1 1.020000E+01 4.510000E+00 2.913000E+01 -2148 1 1.075000E+01 1.786000E+01 8.600000E+00 -2149 1 2.851000E+01 6.170000E+00 2.682000E+01 -2150 1 1.450000E+00 2.132000E+01 4.020000E+00 -2151 1 4.360000E+00 1.142000E+01 4.500000E-01 -2152 1 6.800000E+00 2.136000E+01 2.166000E+01 -2153 1 1.803000E+01 3.907000E+01 4.900000E+00 -2154 1 3.187000E+01 1.368000E+01 1.983000E+01 -2155 1 3.040000E+01 9.820000E+00 3.786000E+01 -2156 1 3.694000E+01 5.550000E+00 1.614000E+01 -2157 1 1.520000E+00 2.840000E+00 7.180000E+00 -2158 1 7.550000E+00 3.788000E+01 1.150000E+00 -2159 1 3.262000E+01 8.680000E+00 1.004000E+01 -2160 1 9.400000E+00 1.616000E+01 1.029000E+01 -2161 1 5.980000E+00 1.628000E+01 2.001000E+01 -2162 1 1.590000E+00 2.898000E+01 2.510000E+00 -2163 1 2.260000E+00 2.503000E+01 2.702000E+01 -2164 1 3.725000E+01 2.886000E+01 1.681000E+01 -2165 1 1.751000E+01 3.490000E+01 2.327000E+01 -2166 1 2.729000E+01 1.952000E+01 2.661000E+01 -2167 1 8.190000E+00 3.201000E+01 2.417000E+01 -2168 1 7.080000E+00 2.577000E+01 1.091000E+01 -2169 1 3.065000E+01 6.030000E+00 2.910000E+00 -2170 1 2.078000E+01 1.994000E+01 1.970000E+01 -2171 1 7.100000E-01 7.250000E+00 1.784000E+01 -2172 1 3.287000E+01 8.740000E+00 1.891000E+01 -2173 1 1.178000E+01 2.800000E+01 1.470000E+01 -2174 1 2.178000E+01 2.015000E+01 3.462000E+01 -2175 1 3.874000E+01 1.992000E+01 1.613000E+01 -2176 1 3.554000E+01 3.239000E+01 3.856000E+01 -2177 1 1.772000E+01 4.020000E+01 1.210000E+00 -2178 1 2.093000E+01 1.558000E+01 2.323000E+01 -2179 1 8.900000E+00 2.592000E+01 3.849000E+01 -2180 1 1.428000E+01 6.460000E+00 3.351000E+01 diff --git a/examples/PACKAGES/dpd-basic/dpdext_tstat/cg_spce.data b/examples/PACKAGES/dpd-basic/dpdext_tstat/cg_spce.data new file mode 120000 index 0000000000..da2da72a38 --- /dev/null +++ b/examples/PACKAGES/dpd-basic/dpdext_tstat/cg_spce.data @@ -0,0 +1 @@ +../dpd_tstat/cg_spce.data \ No newline at end of file diff --git a/examples/PACKAGES/dpd-basic/dpdext_tstat/cg_spce_table.pot b/examples/PACKAGES/dpd-basic/dpdext_tstat/cg_spce_table.pot deleted file mode 100644 index 853ff4bec0..0000000000 --- a/examples/PACKAGES/dpd-basic/dpdext_tstat/cg_spce_table.pot +++ /dev/null @@ -1,354 +0,0 @@ -VOTCA -N 351 R 2.0 9.0 - -1 2.000000E+00 2.190202E+01 7.229762E+01 -2 2.020000E+00 2.048957E+01 6.887333E+01 -3 2.040000E+00 1.915004E+01 6.500604E+01 -4 2.060000E+00 1.789228E+01 6.069573E+01 -5 2.080000E+00 1.672516E+01 5.594242E+01 -6 2.100000E+00 1.565754E+01 5.074609E+01 -7 2.120000E+00 1.467088E+01 4.787307E+01 -8 2.140000E+00 1.374450E+01 4.471740E+01 -9 2.160000E+00 1.288407E+01 4.127908E+01 -10 2.180000E+00 1.209522E+01 3.755811E+01 -11 2.200000E+00 1.138363E+01 3.355449E+01 -12 2.220000E+00 1.072913E+01 3.188695E+01 -13 2.240000E+00 1.010845E+01 3.017359E+01 -14 2.260000E+00 9.522496E+00 2.841440E+01 -15 2.280000E+00 8.972182E+00 2.660938E+01 -16 2.300000E+00 8.458426E+00 2.475854E+01 -17 2.320000E+00 8.014166E+00 2.006698E+01 -18 2.340000E+00 7.639767E+00 1.777244E+01 -19 2.360000E+00 7.287288E+00 1.787493E+01 -20 2.380000E+00 6.908790E+00 2.037445E+01 -21 2.400000E+00 6.456330E+00 2.527099E+01 -22 2.420000E+00 5.858025E+00 3.384695E+01 -23 2.440000E+00 5.130955E+00 3.814748E+01 -24 2.460000E+00 4.360629E+00 3.817257E+01 -25 2.480000E+00 3.632555E+00 3.392224E+01 -26 2.500000E+00 3.032242E+00 2.539647E+01 -27 2.520000E+00 2.547993E+00 2.297813E+01 -28 2.540000E+00 2.115131E+00 2.025763E+01 -29 2.560000E+00 1.739702E+00 1.723497E+01 -30 2.580000E+00 1.427747E+00 1.391013E+01 -31 2.600000E+00 1.185311E+00 1.028314E+01 -32 2.620000E+00 9.860176E-01 9.578245E+00 -33 2.640000E+00 8.048986E-01 8.465708E+00 -34 2.660000E+00 6.501069E-01 6.945526E+00 -35 2.680000E+00 5.297952E-01 5.017699E+00 -36 2.700000E+00 4.521166E-01 2.682227E+00 -37 2.720000E+00 3.986447E-01 2.615311E+00 -38 2.740000E+00 3.494900E-01 2.250522E+00 -39 2.760000E+00 3.106097E-01 1.587859E+00 -40 2.780000E+00 2.879614E-01 6.273237E-01 -41 2.800000E+00 2.875026E-01 -6.310851E-01 -42 2.820000E+00 3.002733E-01 -6.543549E-01 -43 2.840000E+00 3.140112E-01 -7.277911E-01 -44 2.860000E+00 3.297194E-01 -8.513935E-01 -45 2.880000E+00 3.484014E-01 -1.025162E+00 -46 2.900000E+00 3.710604E-01 -1.249097E+00 -47 2.920000E+00 3.974884E-01 -1.380483E+00 -48 2.940000E+00 4.257507E-01 -1.432530E+00 -49 2.960000E+00 4.542607E-01 -1.405240E+00 -50 2.980000E+00 4.814314E-01 -1.298611E+00 -51 3.000000E+00 5.056762E-01 -1.112645E+00 -52 3.020000E+00 5.266502E-01 -9.832894E-01 -53 3.040000E+00 5.449492E-01 -8.451544E-01 -54 3.060000E+00 5.603978E-01 -6.982396E-01 -55 3.080000E+00 5.728203E-01 -5.425450E-01 -56 3.100000E+00 5.820411E-01 -3.780706E-01 -57 3.120000E+00 5.882509E-01 -2.409307E-01 -58 3.140000E+00 5.915991E-01 -9.190908E-02 -59 3.160000E+00 5.918481E-01 6.899430E-02 -60 3.180000E+00 5.887601E-01 2.417794E-01 -61 3.200000E+00 5.820977E-01 4.264463E-01 -62 3.220000E+00 5.733491E-01 4.528343E-01 -63 3.240000E+00 5.638075E-01 5.057356E-01 -64 3.260000E+00 5.529429E-01 5.851503E-01 -65 3.280000E+00 5.402248E-01 6.910784E-01 -66 3.300000E+00 5.251230E-01 8.235199E-01 -67 3.320000E+00 5.086524E-01 8.236482E-01 -68 3.340000E+00 4.921725E-01 8.244583E-01 -69 3.360000E+00 4.756696E-01 8.259503E-01 -70 3.380000E+00 4.591299E-01 8.281240E-01 -71 3.400000E+00 4.425400E-01 8.309796E-01 -72 3.420000E+00 4.259181E-01 8.311861E-01 -73 3.440000E+00 4.092937E-01 8.312292E-01 -74 3.460000E+00 3.926700E-01 8.311089E-01 -75 3.480000E+00 3.760504E-01 8.308252E-01 -76 3.500000E+00 3.594381E-01 8.303781E-01 -77 3.520000E+00 3.428394E-01 8.295412E-01 -78 3.540000E+00 3.262547E-01 8.289646E-01 -79 3.560000E+00 3.096790E-01 8.286483E-01 -80 3.580000E+00 2.931071E-01 8.285923E-01 -81 3.600000E+00 2.765336E-01 8.287966E-01 -82 3.620000E+00 2.599901E-01 8.254306E-01 -83 3.640000E+00 2.435212E-01 8.213359E-01 -84 3.660000E+00 2.271415E-01 8.165124E-01 -85 3.680000E+00 2.108656E-01 8.109603E-01 -86 3.700000E+00 1.947080E-01 8.046794E-01 -87 3.720000E+00 1.790243E-01 7.653050E-01 -88 3.740000E+00 1.640312E-01 7.356166E-01 -89 3.760000E+00 1.495351E-01 7.156143E-01 -90 3.780000E+00 1.353421E-01 7.052980E-01 -91 3.800000E+00 1.212586E-01 7.046676E-01 -92 3.820000E+00 1.072429E-01 6.965706E-01 -93 3.840000E+00 9.340878E-02 6.865180E-01 -94 3.860000E+00 7.979524E-02 6.745098E-01 -95 3.880000E+00 6.644142E-02 6.605462E-01 -96 3.900000E+00 5.338643E-02 6.446270E-01 -97 3.920000E+00 4.067486E-02 6.268536E-01 -98 3.940000E+00 2.829935E-02 6.110218E-01 -99 3.960000E+00 1.622105E-02 5.971317E-01 -100 3.980000E+00 4.401131E-03 5.851833E-01 -101 4.000000E+00 -7.199230E-03 5.751764E-01 -102 4.020000E+00 -1.856170E-02 5.611971E-01 -103 4.040000E+00 -2.965216E-02 5.479743E-01 -104 4.060000E+00 -4.048572E-02 5.355079E-01 -105 4.080000E+00 -5.107752E-02 5.237981E-01 -106 4.100000E+00 -6.144268E-02 5.128447E-01 -107 4.120000E+00 -7.151117E-02 4.939504E-01 -108 4.140000E+00 -8.119856E-02 4.747353E-01 -109 4.160000E+00 -9.049845E-02 4.551994E-01 -110 4.180000E+00 -9.940440E-02 4.353427E-01 -111 4.200000E+00 -1.079100E-01 4.151651E-01 -112 4.220000E+00 -1.159565E-01 3.900062E-01 -113 4.240000E+00 -1.235312E-01 3.679865E-01 -114 4.260000E+00 -1.306969E-01 3.491061E-01 -115 4.280000E+00 -1.375164E-01 3.333651E-01 -116 4.300000E+00 -1.440524E-01 3.207633E-01 -117 4.320000E+00 -1.503014E-01 3.040292E-01 -118 4.340000E+00 -1.562092E-01 2.866389E-01 -119 4.360000E+00 -1.617626E-01 2.685925E-01 -120 4.380000E+00 -1.669485E-01 2.498899E-01 -121 4.400000E+00 -1.717538E-01 2.305311E-01 -122 4.420000E+00 -1.760941E-01 2.036400E-01 -123 4.440000E+00 -1.799054E-01 1.776469E-01 -124 4.460000E+00 -1.832059E-01 1.525518E-01 -125 4.480000E+00 -1.860135E-01 1.283546E-01 -126 4.500000E+00 -1.883461E-01 1.050554E-01 -127 4.520000E+00 -1.902569E-01 8.558005E-02 -128 4.540000E+00 -1.917515E-01 6.344105E-02 -129 4.560000E+00 -1.927768E-01 3.863842E-02 -130 4.580000E+00 -1.932793E-01 1.117216E-02 -131 4.600000E+00 -1.932059E-01 -1.895774E-02 -132 4.620000E+00 -1.926829E-01 -3.331832E-02 -133 4.640000E+00 -1.918741E-01 -4.753697E-02 -134 4.660000E+00 -1.907824E-01 -6.161370E-02 -135 4.680000E+00 -1.894105E-01 -7.554851E-02 -136 4.700000E+00 -1.877614E-01 -8.934140E-02 -137 4.720000E+00 -1.859159E-01 -9.580751E-02 -138 4.740000E+00 -1.839049E-01 -1.058976E-01 -139 4.760000E+00 -1.816559E-01 -1.196116E-01 -140 4.780000E+00 -1.790963E-01 -1.369495E-01 -141 4.800000E+00 -1.761537E-01 -1.579114E-01 -142 4.820000E+00 -1.728280E-01 -1.744216E-01 -143 4.840000E+00 -1.691864E-01 -1.895036E-01 -144 4.860000E+00 -1.652574E-01 -2.031575E-01 -145 4.880000E+00 -1.610696E-01 -2.153832E-01 -146 4.900000E+00 -1.566516E-01 -2.261808E-01 -147 4.920000E+00 -1.521084E-01 -2.290714E-01 -148 4.940000E+00 -1.474515E-01 -2.375453E-01 -149 4.960000E+00 -1.425693E-01 -2.516026E-01 -150 4.980000E+00 -1.373502E-01 -2.712432E-01 -151 5.000000E+00 -1.316824E-01 -2.964672E-01 -152 5.020000E+00 -1.257009E-01 -3.016666E-01 -153 5.040000E+00 -1.196162E-01 -3.067953E-01 -154 5.060000E+00 -1.134296E-01 -3.118535E-01 -155 5.080000E+00 -1.071425E-01 -3.168409E-01 -156 5.100000E+00 -1.007564E-01 -3.217577E-01 -157 5.120000E+00 -9.430843E-02 -3.230025E-01 -158 5.140000E+00 -8.783782E-02 -3.240216E-01 -159 5.160000E+00 -8.134907E-02 -3.248150E-01 -160 5.180000E+00 -7.484672E-02 -3.253827E-01 -161 5.200000E+00 -6.833527E-02 -3.257248E-01 -162 5.220000E+00 -6.171989E-02 -3.350608E-01 -163 5.240000E+00 -5.496291E-02 -3.398853E-01 -164 5.260000E+00 -4.815456E-02 -3.401983E-01 -165 5.280000E+00 -4.138506E-02 -3.359997E-01 -166 5.300000E+00 -3.474465E-02 -3.272895E-01 -167 5.320000E+00 -2.866480E-02 -2.819209E-01 -168 5.340000E+00 -2.341879E-02 -2.439062E-01 -169 5.360000E+00 -1.885953E-02 -2.132454E-01 -170 5.380000E+00 -1.483994E-02 -1.899386E-01 -171 5.400000E+00 -1.121296E-02 -1.739857E-01 -172 5.420000E+00 -7.974056E-03 -1.497398E-01 -173 5.440000E+00 -5.229953E-03 -1.245058E-01 -174 5.460000E+00 -3.000413E-03 -9.828350E-02 -175 5.480000E+00 -1.305201E-03 -7.107305E-02 -176 5.500000E+00 -1.640790E-04 -4.287441E-02 -177 5.520000E+00 6.371635E-04 -3.612657E-02 -178 5.540000E+00 1.236053E-03 -2.263906E-02 -179 5.560000E+00 1.497795E-03 -2.411882E-03 -180 5.580000E+00 1.287597E-03 2.455496E-02 -181 5.600000E+00 4.706651E-04 5.826147E-02 -182 5.620000E+00 -7.026386E-04 5.910929E-02 -183 5.640000E+00 -1.895322E-03 6.019943E-02 -184 5.660000E+00 -3.112231E-03 6.153190E-02 -185 5.680000E+00 -4.358213E-03 6.310668E-02 -186 5.700000E+00 -5.638114E-03 6.492378E-02 -187 5.720000E+00 -6.949688E-03 6.610584E-02 -188 5.740000E+00 -8.277238E-03 6.652145E-02 -189 5.760000E+00 -9.605436E-03 6.617062E-02 -190 5.780000E+00 -1.091895E-02 6.505335E-02 -191 5.800000E+00 -1.220246E-02 6.316963E-02 -192 5.820000E+00 -1.341489E-02 5.820182E-02 -193 5.840000E+00 -1.453566E-02 5.400257E-02 -194 5.860000E+00 -1.558012E-02 5.057189E-02 -195 5.880000E+00 -1.656366E-02 4.790978E-02 -196 5.900000E+00 -1.750164E-02 4.601622E-02 -197 5.920000E+00 -1.840088E-02 4.358369E-02 -198 5.940000E+00 -1.923199E-02 3.920163E-02 -199 5.960000E+00 -1.995595E-02 3.287003E-02 -200 5.980000E+00 -2.053379E-02 2.458889E-02 -201 6.000000E+00 -2.092651E-02 1.435822E-02 -202 6.020000E+00 -2.120502E-02 1.352840E-02 -203 6.040000E+00 -2.146907E-02 1.291186E-02 -204 6.060000E+00 -2.172292E-02 1.250861E-02 -205 6.080000E+00 -2.197084E-02 1.231865E-02 -206 6.100000E+00 -2.221709E-02 1.234198E-02 -207 6.120000E+00 -2.246474E-02 1.237271E-02 -208 6.140000E+00 -2.270998E-02 1.210114E-02 -209 6.160000E+00 -2.294677E-02 1.152726E-02 -210 6.180000E+00 -2.316905E-02 1.065107E-02 -211 6.200000E+00 -2.337079E-02 9.472569E-03 -212 6.220000E+00 -2.332237E-02 -1.276224E-02 -213 6.240000E+00 -2.292243E-02 -2.567822E-02 -214 6.260000E+00 -2.235736E-02 -2.927535E-02 -215 6.280000E+00 -2.181354E-02 -2.355364E-02 -216 6.300000E+00 -2.147734E-02 -8.513096E-03 -217 6.320000E+00 -2.141633E-02 1.466366E-03 -218 6.340000E+00 -2.149820E-02 5.775798E-03 -219 6.360000E+00 -2.160956E-02 4.415202E-03 -220 6.380000E+00 -2.163701E-02 -2.615423E-03 -221 6.400000E+00 -2.146714E-02 -1.531608E-02 -222 6.420000E+00 -2.107402E-02 -2.337955E-02 -223 6.440000E+00 -2.055660E-02 -2.774728E-02 -224 6.460000E+00 -1.998877E-02 -2.841924E-02 -225 6.480000E+00 -1.944446E-02 -2.539546E-02 -226 6.500000E+00 -1.899759E-02 -1.867591E-02 -227 6.520000E+00 -1.869042E-02 -1.259095E-02 -228 6.540000E+00 -1.847196E-02 -9.804901E-03 -229 6.560000E+00 -1.827623E-02 -1.031775E-02 -230 6.580000E+00 -1.803726E-02 -1.412951E-02 -231 6.600000E+00 -1.768906E-02 -2.124018E-02 -232 6.620000E+00 -1.710949E-02 -3.551655E-02 -233 6.640000E+00 -1.631641E-02 -4.259122E-02 -234 6.660000E+00 -1.545385E-02 -4.246419E-02 -235 6.680000E+00 -1.466585E-02 -3.513545E-02 -236 6.700000E+00 -1.409644E-02 -2.060502E-02 -237 6.720000E+00 -1.374966E-02 -1.461056E-02 -238 6.740000E+00 -1.349054E-02 -1.183851E-02 -239 6.760000E+00 -1.325464E-02 -1.228886E-02 -240 6.780000E+00 -1.297750E-02 -1.596163E-02 -241 6.800000E+00 -1.259469E-02 -2.285680E-02 -242 6.820000E+00 -1.213049E-02 -2.349903E-02 -243 6.840000E+00 -1.165728E-02 -2.375897E-02 -244 6.860000E+00 -1.118268E-02 -2.363664E-02 -245 6.880000E+00 -1.071436E-02 -2.313203E-02 -246 6.900000E+00 -1.025995E-02 -2.224514E-02 -247 6.920000E+00 -9.817276E-03 -2.203990E-02 -248 6.940000E+00 -9.377653E-03 -2.193988E-02 -249 6.960000E+00 -8.938979E-03 -2.194508E-02 -250 6.980000E+00 -8.499148E-03 -2.205550E-02 -251 7.000000E+00 -8.056057E-03 -2.227113E-02 -252 7.020000E+00 -7.597830E-03 -2.345789E-02 -253 7.040000E+00 -7.121492E-03 -2.408210E-02 -254 7.060000E+00 -6.638296E-03 -2.414376E-02 -255 7.080000E+00 -6.159492E-03 -2.364288E-02 -256 7.100000E+00 -5.696331E-03 -2.257946E-02 -257 7.120000E+00 -5.301441E-03 -1.729553E-02 -258 7.140000E+00 -4.989070E-03 -1.432759E-02 -259 7.160000E+00 -4.712898E-03 -1.367562E-02 -260 7.180000E+00 -4.426605E-03 -1.533964E-02 -261 7.200000E+00 -4.083872E-03 -1.931964E-02 -262 7.220000E+00 -3.631995E-03 -2.538390E-02 -263 7.240000E+00 -3.087883E-03 -2.854317E-02 -264 7.260000E+00 -2.509635E-03 -2.879748E-02 -265 7.280000E+00 -1.955351E-03 -2.614680E-02 -266 7.300000E+00 -1.483130E-03 -2.059115E-02 -267 7.320000E+00 -1.113389E-03 -1.639767E-02 -268 7.340000E+00 -8.266321E-04 -1.229279E-02 -269 7.360000E+00 -6.210869E-04 -8.276492E-03 -270 7.380000E+00 -4.949818E-04 -4.348786E-03 -271 7.400000E+00 -4.465449E-04 -5.096684E-04 -272 7.420000E+00 -5.304321E-04 8.162452E-03 -273 7.440000E+00 -7.436056E-04 1.241897E-02 -274 7.460000E+00 -9.977534E-04 1.225988E-02 -275 7.480000E+00 -1.204563E-03 7.685191E-03 -276 7.500000E+00 -1.275724E-03 -1.305104E-03 -277 7.520000E+00 -1.199415E-03 -5.916706E-03 -278 7.540000E+00 -1.055417E-03 -8.074089E-03 -279 7.560000E+00 -8.928131E-04 -7.777253E-03 -280 7.580000E+00 -7.606883E-04 -5.026198E-03 -281 7.600000E+00 -7.081267E-04 1.790768E-04 -282 7.620000E+00 -7.213835E-04 1.157786E-03 -283 7.640000E+00 -7.548855E-04 2.203601E-03 -284 7.660000E+00 -8.099749E-04 3.316523E-03 -285 7.680000E+00 -8.879938E-04 4.496550E-03 -286 7.700000E+00 -9.902843E-04 5.743685E-03 -287 7.720000E+00 -1.122403E-03 7.421734E-03 -288 7.740000E+00 -1.285295E-03 8.820936E-03 -289 7.760000E+00 -1.473382E-03 9.941291E-03 -290 7.780000E+00 -1.681087E-03 1.078280E-02 -291 7.800000E+00 -1.902835E-03 1.134546E-02 -292 7.820000E+00 -2.225281E-03 2.008573E-02 -293 7.840000E+00 -2.673724E-03 2.394500E-02 -294 7.860000E+00 -3.150542E-03 2.292328E-02 -295 7.880000E+00 -3.558115E-03 1.702056E-02 -296 7.900000E+00 -3.798824E-03 6.236836E-03 -297 7.920000E+00 -3.844315E-03 -1.142168E-03 -298 7.940000E+00 -3.774961E-03 -5.247538E-03 -299 7.960000E+00 -3.656237E-03 -6.079274E-03 -300 7.980000E+00 -3.553615E-03 -3.637376E-03 -301 8.000000E+00 -3.532566E-03 2.078155E-03 -302 8.020000E+00 -3.611956E-03 5.494873E-03 -303 8.040000E+00 -3.737724E-03 6.716053E-03 -304 8.060000E+00 -3.865961E-03 5.741694E-03 -305 8.080000E+00 -3.952755E-03 2.571796E-03 -306 8.100000E+00 -3.954196E-03 -2.793640E-03 -307 8.120000E+00 -3.873685E-03 -5.086591E-03 -308 8.140000E+00 -3.757567E-03 -6.354313E-03 -309 8.160000E+00 -3.626347E-03 -6.596805E-03 -310 8.180000E+00 -3.500530E-03 -5.814068E-03 -311 8.200000E+00 -3.400620E-03 -4.006101E-03 -312 8.220000E+00 -3.334411E-03 -2.730570E-03 -313 8.240000E+00 -3.286762E-03 -2.150229E-03 -314 8.260000E+00 -3.243768E-03 -2.265076E-03 -315 8.280000E+00 -3.191524E-03 -3.075114E-03 -316 8.300000E+00 -3.116129E-03 -4.580340E-03 -317 8.320000E+00 -2.964210E-03 -1.014102E-02 -318 8.340000E+00 -2.729309E-03 -1.287854E-02 -319 8.360000E+00 -2.467889E-03 -1.279292E-02 -320 8.380000E+00 -2.236413E-03 -9.884157E-03 -321 8.400000E+00 -2.091344E-03 -4.152240E-03 -322 8.420000E+00 -2.034875E-03 -1.692189E-03 -323 8.440000E+00 -2.015752E-03 -4.177491E-04 -324 8.460000E+00 -2.010261E-03 -3.289192E-04 -325 8.480000E+00 -1.994691E-03 -1.425700E-03 -326 8.500000E+00 -1.945329E-03 -3.708091E-03 -327 8.520000E+00 -1.867098E-03 -4.115259E-03 -328 8.540000E+00 -1.780711E-03 -4.523663E-03 -329 8.560000E+00 -1.686143E-03 -4.933304E-03 -330 8.580000E+00 -1.583370E-03 -5.344181E-03 -331 8.600000E+00 -1.472368E-03 -5.756296E-03 -332 8.620000E+00 -1.328792E-03 -8.394009E-03 -333 8.640000E+00 -1.144899E-03 -9.787974E-03 -334 8.660000E+00 -9.455644E-04 -9.938189E-03 -335 8.680000E+00 -7.556630E-04 -8.844656E-03 -336 8.700000E+00 -6.000698E-04 -6.507373E-03 -337 8.720000E+00 -5.364035E-04 -3.286769E-04 -338 8.740000E+00 -5.681458E-04 3.033482E-03 -339 8.760000E+00 -6.389659E-04 3.579102E-03 -340 8.780000E+00 -6.925330E-04 1.308185E-03 -341 8.800000E+00 -6.725164E-04 -3.779270E-03 -342 8.820000E+00 -5.113768E-04 -1.169180E-02 -343 8.840000E+00 -2.305599E-04 -1.574700E-02 -344 8.860000E+00 9.278768E-05 -1.594487E-02 -345 8.880000E+00 3.815195E-04 -1.228542E-02 -346 8.900000E+00 5.584889E-04 -4.768636E-03 -347 8.920000E+00 6.079481E-04 -2.335309E-04 -348 8.940000E+00 5.700798E-04 3.964121E-03 -349 8.960000E+00 4.516330E-04 7.824320E-03 -350 8.980000E+00 2.593567E-04 1.134707E-02 -351 9.000000E+00 0.000000E+00 1.453236E-02 diff --git a/examples/PACKAGES/dpd-basic/dpdext_tstat/cg_spce_table.pot b/examples/PACKAGES/dpd-basic/dpdext_tstat/cg_spce_table.pot new file mode 120000 index 0000000000..9abb769be2 --- /dev/null +++ b/examples/PACKAGES/dpd-basic/dpdext_tstat/cg_spce_table.pot @@ -0,0 +1 @@ +../dpd_tstat/cg_spce_table.pot \ No newline at end of file diff --git a/examples/PACKAGES/dpd-basic/dpdext_tstat/in.cg_spce b/examples/PACKAGES/dpd-basic/dpdext_tstat/in.dpdext_tstat similarity index 76% rename from examples/PACKAGES/dpd-basic/dpdext_tstat/in.cg_spce rename to examples/PACKAGES/dpd-basic/dpdext_tstat/in.dpdext_tstat index b93dc3eec5..205aef99e4 100644 --- a/examples/PACKAGES/dpd-basic/dpdext_tstat/in.cg_spce +++ b/examples/PACKAGES/dpd-basic/dpdext_tstat/in.dpdext_tstat @@ -4,7 +4,7 @@ variable T equal 300.0 variable rc equal 9.0 variable rcD equal 10.0 -units real +units real boundary p p p atom_style atomic dimension 3 @@ -13,7 +13,7 @@ comm_modify vel yes read_data cg_spce.data -pair_style hybrid/overlay table linear 1000 dpd/ext/tstat ${T} ${T} ${rc} 385262 +pair_style hybrid/overlay table spline 1000 dpd/ext/tstat ${T} ${T} ${rc} 385262 pair_coeff 1 1 table cg_spce_table.pot VOTCA ${rc} pair_coeff 1 1 dpd/ext/tstat 20.0 10.0 0.5 0.5 ${rcD} @@ -24,8 +24,8 @@ run_style verlet velocity all create ${T} 68768932 thermo_style custom step time temp press -thermo 10 +thermo 100 fix 1 all nve -run 2000 +run 1000 diff --git a/examples/PACKAGES/dpd-basic/dpdext_tstat/log.10Mar21.dpdext.g++.1 b/examples/PACKAGES/dpd-basic/dpdext_tstat/log.10Mar21.dpdext.g++.1 deleted file mode 100644 index 8f75dfa917..0000000000 --- a/examples/PACKAGES/dpd-basic/dpdext_tstat/log.10Mar21.dpdext.g++.1 +++ /dev/null @@ -1,293 +0,0 @@ -LAMMPS (8 Apr 2021) -# Coarse-Grained SPC/E Water - -variable T equal 300.0 -variable rc equal 9.0 -variable rcD equal 10.0 - -units real -boundary p p p -atom_style atomic -dimension 3 -newton on -comm_modify vel yes - -read_data cg_spce.data -Reading data file ... - orthogonal box = (0.0000000 0.0000000 0.0000000) to (40.310000 40.310000 40.310000) - 1 by 1 by 1 MPI processor grid - reading atoms ... - 2180 atoms - read_data CPU = 0.020 seconds - -pair_style hybrid/overlay table linear 1000 dpd/ext/tstat ${T} ${T} ${rc} 385262 -pair_style hybrid/overlay table linear 1000 dpd/ext/tstat 300 ${T} ${rc} 385262 -pair_style hybrid/overlay table linear 1000 dpd/ext/tstat 300 300 ${rc} 385262 -pair_style hybrid/overlay table linear 1000 dpd/ext/tstat 300 300 9 385262 - -pair_coeff 1 1 table cg_spce_table.pot VOTCA ${rc} -pair_coeff 1 1 table cg_spce_table.pot VOTCA 9 -WARNING: 16 of 351 force values in table VOTCA are inconsistent with -dE/dr. - Should only be flagged at inflection points (../pair_table.cpp:461) -pair_coeff 1 1 dpd/ext/tstat 20.0 10.0 0.5 0.5 ${rcD} -pair_coeff 1 1 dpd/ext/tstat 20.0 10.0 0.5 0.5 10 - -timestep 1.0 -run_style verlet - -velocity all create ${T} 68768932 -velocity all create 300 68768932 - -thermo_style custom step time temp press -thermo 10 - -fix 1 all nve - -run 2000 -Neighbor list info ... - update every 1 steps, delay 10 steps, check yes - max neighbors/atom: 2000, page size: 100000 - master list distance cutoff = 12 - ghost atom cutoff = 12 - binsize = 6, bins = 7 7 7 - 2 neighbor lists, perpetual/occasional/extra = 2 0 0 - (1) pair table, perpetual - attributes: half, newton on - pair build: half/bin/atomonly/newton - stencil: half/bin/3d/newton - bin: standard - (2) pair dpd/ext/tstat, perpetual, copy from (1) - attributes: half, newton on - pair build: copy - stencil: none - bin: none -Per MPI rank memory allocation (min/avg/max) = 5.380 | 5.380 | 5.380 Mbytes -Step Time Temp Press - 0 0 300 7368.7186 - 10 10 298.34842 6443.6033 - 20 20 303.36187 9303.0158 - 30 30 301.59356 7533.7912 - 40 40 300.97217 5623.9089 - 50 50 300.31652 9105.8093 - 60 60 296.92173 9213.304 - 70 70 294.36593 12701.327 - 80 80 295.30077 6098.4732 - 90 90 296.35396 8051.719 - 100 100 293.72532 5555.983 - 110 110 290.95711 9001.8346 - 120 120 290.91972 10264.241 - 130 130 294.14911 11450.959 - 140 140 299.11994 7244.1639 - 150 150 301.20082 7675.7516 - 160 160 300.71883 9718.1901 - 170 170 295.47176 8931.1414 - 180 180 290.45284 7381.7674 - 190 190 291.66922 11028.436 - 200 200 294.0543 11897.269 - 210 210 299.17955 8939.2171 - 220 220 298.45193 8047.038 - 230 230 300.48548 10033.64 - 240 240 299.24752 6310.7247 - 250 250 304.51487 8710.5626 - 260 260 303.6513 5230.8162 - 270 270 300.76074 12164.773 - 280 280 302.60275 11145.98 - 290 290 297.22957 9521.4384 - 300 300 297.1365 7446.9006 - 310 310 292.18323 8021.8344 - 320 320 295.03958 9130.8594 - 330 330 293.9622 4647.512 - 340 340 290.77751 8001.486 - 350 350 292.34687 11887.668 - 360 360 295.95968 9262.148 - 370 370 293.50476 4181.549 - 380 380 288.69498 7632.071 - 390 390 289.63957 5130.0205 - 400 400 295.02212 5643.5024 - 410 410 296.3944 7267.235 - 420 420 299.22019 7149.9305 - 430 430 298.36689 8384.595 - 440 440 295.33149 10515.75 - 450 450 294.76959 11569.389 - 460 460 300.141 7272.4453 - 470 470 299.14431 7792.5419 - 480 480 302.3697 5837.8675 - 490 490 301.94692 6999.1059 - 500 500 300.25929 4885.3948 - 510 510 302.50013 8231.0438 - 520 520 300.76412 8445.0349 - 530 530 298.5016 9110.432 - 540 540 301.14513 9348.6421 - 550 550 297.36425 10753.314 - 560 560 296.50046 10476.823 - 570 570 300.57267 9889.7968 - 580 580 300.4868 8377.423 - 590 590 296.65103 6859.32 - 600 600 298.50013 7080.5995 - 610 610 300.28274 9502.5438 - 620 620 298.45508 8819.7846 - 630 630 300.24859 6291.4944 - 640 640 299.38719 7430.2366 - 650 650 297.91915 9435.3218 - 660 660 300.61208 6287.9931 - 670 670 303.59291 8357.7639 - 680 680 301.85511 1697.3038 - 690 690 298.96873 5210.2286 - 700 700 298.09035 7510.4359 - 710 710 303.11692 10129.526 - 720 720 302.65473 10488.388 - 730 730 300.15444 7118.5953 - 740 740 300.19245 10582.032 - 750 750 296.73618 6538.0363 - 760 760 299.72857 7588.9487 - 770 770 299.00347 6633.9983 - 780 780 301.38129 8053.5347 - 790 790 298.54819 8711.4965 - 800 800 305.54197 9717.9727 - 810 810 302.96497 7582.0444 - 820 820 306.81537 9433.6446 - 830 830 309.16373 10088.582 - 840 840 313.53881 9509.8624 - 850 850 310.82992 5366.015 - 860 860 306.49798 8499.9157 - 870 870 308.93421 5690.3242 - 880 880 302.56668 5526.3636 - 890 890 306.72501 7380.8469 - 900 900 308.87199 10388.13 - 910 910 312.7367 6613.0734 - 920 920 308.34508 5903.4291 - 930 930 306.39924 8615.6622 - 940 940 310.37544 6849.4694 - 950 950 310.13051 6188.7605 - 960 960 308.68049 7637.532 - 970 970 302.85465 6448.7926 - 980 980 307.40719 8763.0959 - 990 990 304.02815 8373.6518 - 1000 1000 300.69539 5682.6678 - 1010 1010 299.16385 6012.246 - 1020 1020 305.118 7913.4144 - 1030 1030 304.20382 10580.788 - 1040 1040 302.91134 7698.4548 - 1050 1050 298.08593 8952.6724 - 1060 1060 302.56196 10602.997 - 1070 1070 305.98211 12174.358 - 1080 1080 305.70253 12288.219 - 1090 1090 303.22805 7922.7166 - 1100 1100 301.54879 5031.3836 - 1110 1110 302.57611 8547.4189 - 1120 1120 302.00845 12966.595 - 1130 1130 296.10912 4514.1707 - 1140 1140 295.11601 6543.7239 - 1150 1150 287.29188 6453.3386 - 1160 1160 284.83881 7168.9427 - 1170 1170 289.77871 7895.7434 - 1180 1180 293.48011 7680.6885 - 1190 1190 295.69035 8609.6593 - 1200 1200 296.0653 7343.68 - 1210 1210 302.72922 6973.6048 - 1220 1220 304.11805 7322.7664 - 1230 1230 300.24647 6418.2612 - 1240 1240 293.24074 9039.1214 - 1250 1250 300.56214 7877.4055 - 1260 1260 308.03086 5644.2135 - 1270 1270 311.12289 6875.5126 - 1280 1280 307.83182 7204.9894 - 1290 1290 309.58491 9993.2255 - 1300 1300 305.36536 8626.859 - 1310 1310 304.35084 3471.1205 - 1320 1320 304.40125 2149.2701 - 1330 1330 295.74547 6252.9592 - 1340 1340 293.16034 3407.4408 - 1350 1350 298.6302 10139.977 - 1360 1360 300.46627 7312.9011 - 1370 1370 298.00367 2780.8886 - 1380 1380 300.97807 9403.3451 - 1390 1390 294.32612 12005.453 - 1400 1400 296.13403 5569.4907 - 1410 1410 297.86152 9558.6064 - 1420 1420 303.01992 8678.345 - 1430 1430 298.53849 5544.6316 - 1440 1440 293.60633 12879.765 - 1450 1450 296.28813 9312.4229 - 1460 1460 292.64466 8344.5877 - 1470 1470 295.28975 7689.9396 - 1480 1480 300.10761 7436.7346 - 1490 1490 291.6152 8909.6757 - 1500 1500 286.644 9756.5014 - 1510 1510 294.52064 10383.164 - 1520 1520 297.49618 4972.89 - 1530 1530 295.63379 6192.5729 - 1540 1540 295.04528 4987.7191 - 1550 1550 290.41403 7013.6076 - 1560 1560 295.62326 7222.5009 - 1570 1570 299.90584 4282.5688 - 1580 1580 299.04532 7885.433 - 1590 1590 300.03907 5508.0652 - 1600 1600 298.05683 9262.3744 - 1610 1610 297.50015 9544.6913 - 1620 1620 303.21217 6393.6756 - 1630 1630 304.44383 9674.6583 - 1640 1640 302.68977 9065.4408 - 1650 1650 303.62415 6851.1575 - 1660 1660 306.11103 8592.0481 - 1670 1670 300.84566 8483.551 - 1680 1680 303.92882 10113.096 - 1690 1690 305.02534 7389.9402 - 1700 1700 303.52902 5541.9256 - 1710 1710 299.27905 9547.7344 - 1720 1720 294.14366 7269.2402 - 1730 1730 299.49977 8086.0601 - 1740 1740 298.66942 7026.6067 - 1750 1750 296.94428 9595.2435 - 1760 1760 297.36921 6268.7436 - 1770 1770 299.88423 10598.189 - 1780 1780 293.76868 7405.7641 - 1790 1790 297.19444 10837.102 - 1800 1800 296.46054 8345.699 - 1810 1810 299.06801 5256.5992 - 1820 1820 294.17725 5510.7529 - 1830 1830 286.78527 6310.8881 - 1840 1840 284.89686 8249.1144 - 1850 1850 293.79389 4578.9263 - 1860 1860 298.31279 8752.305 - 1870 1870 295.31087 8401.2736 - 1880 1880 298.13297 4354.8694 - 1890 1890 298.90786 11454.088 - 1900 1900 299.1416 9121.4138 - 1910 1910 296.43134 12157.884 - 1920 1920 292.05445 8613.1522 - 1930 1930 300.3421 7898.3626 - 1940 1940 304.55746 6311.259 - 1950 1950 304.03899 8789.3537 - 1960 1960 305.08259 7243.5622 - 1970 1970 304.0858 8712.4796 - 1980 1980 299.14574 5166.3501 - 1990 1990 300.07254 10019.769 - 2000 2000 301.78176 8789.7968 -Loop time of 91.2059 on 1 procs for 2000 steps with 2180 atoms - -Performance: 1.895 ns/day, 12.667 hours/ns, 21.928 timesteps/s -99.8% CPU use with 1 MPI tasks x no OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 90.668 | 90.668 | 90.668 | 0.0 | 99.41 -Neigh | 0.23231 | 0.23231 | 0.23231 | 0.0 | 0.25 -Comm | 0.20819 | 0.20819 | 0.20819 | 0.0 | 0.23 -Output | 0.0049558 | 0.0049558 | 0.0049558 | 0.0 | 0.01 -Modify | 0.052906 | 0.052906 | 0.052906 | 0.0 | 0.06 -Other | | 0.03904 | | | 0.04 - -Nlocal: 2180.00 ave 2180 max 2180 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Nghost: 6693.00 ave 6693 max 6693 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Neighs: 261496.0 ave 261496 max 261496 min -Histogram: 1 0 0 0 0 0 0 0 0 0 - -Total # of neighbors = 261496 -Ave neighs/atom = 119.95229 -Neighbor list builds = 25 -Dangerous builds = 0 -Total wall time: 0:01:31 diff --git a/examples/PACKAGES/dpd-basic/dpdext_tstat/log.10Mar21.dpdext.g++.4 b/examples/PACKAGES/dpd-basic/dpdext_tstat/log.10Mar21.dpdext.g++.4 deleted file mode 100644 index 278aba0687..0000000000 --- a/examples/PACKAGES/dpd-basic/dpdext_tstat/log.10Mar21.dpdext.g++.4 +++ /dev/null @@ -1,293 +0,0 @@ -LAMMPS (8 Apr 2021) -# Coarse-Grained SPC/E Water - -variable T equal 300.0 -variable rc equal 9.0 -variable rcD equal 10.0 - -units real -boundary p p p -atom_style atomic -dimension 3 -newton on -comm_modify vel yes - -read_data cg_spce.data -Reading data file ... - orthogonal box = (0.0000000 0.0000000 0.0000000) to (40.310000 40.310000 40.310000) - 1 by 2 by 2 MPI processor grid - reading atoms ... - 2180 atoms - read_data CPU = 0.005 seconds - -pair_style hybrid/overlay table linear 1000 dpd/ext/tstat ${T} ${T} ${rc} 385262 -pair_style hybrid/overlay table linear 1000 dpd/ext/tstat 300 ${T} ${rc} 385262 -pair_style hybrid/overlay table linear 1000 dpd/ext/tstat 300 300 ${rc} 385262 -pair_style hybrid/overlay table linear 1000 dpd/ext/tstat 300 300 9 385262 - -pair_coeff 1 1 table cg_spce_table.pot VOTCA ${rc} -pair_coeff 1 1 table cg_spce_table.pot VOTCA 9 -WARNING: 16 of 351 force values in table VOTCA are inconsistent with -dE/dr. - Should only be flagged at inflection points (../pair_table.cpp:461) -pair_coeff 1 1 dpd/ext/tstat 20.0 10.0 0.5 0.5 ${rcD} -pair_coeff 1 1 dpd/ext/tstat 20.0 10.0 0.5 0.5 10 - -timestep 1.0 -run_style verlet - -velocity all create ${T} 68768932 -velocity all create 300 68768932 - -thermo_style custom step time temp press -thermo 10 - -fix 1 all nve - -run 2000 -Neighbor list info ... - update every 1 steps, delay 10 steps, check yes - max neighbors/atom: 2000, page size: 100000 - master list distance cutoff = 12 - ghost atom cutoff = 12 - binsize = 6, bins = 7 7 7 - 2 neighbor lists, perpetual/occasional/extra = 2 0 0 - (1) pair table, perpetual - attributes: half, newton on - pair build: half/bin/atomonly/newton - stencil: half/bin/3d/newton - bin: standard - (2) pair dpd/ext/tstat, perpetual, copy from (1) - attributes: half, newton on - pair build: copy - stencil: none - bin: none -Per MPI rank memory allocation (min/avg/max) = 3.695 | 3.696 | 3.697 Mbytes -Step Time Temp Press - 0 0 300 5965.5396 - 10 10 303.16391 8779.1574 - 20 20 306.9014 8268.573 - 30 30 305.84291 9976.0547 - 40 40 301.20527 8832.3902 - 50 50 305.72012 8041.0146 - 60 60 305.1676 7118.8042 - 70 70 305.01132 9423.9307 - 80 80 308.10236 10781.423 - 90 90 309.18703 3637.9961 - 100 100 305.11814 7726.7672 - 110 110 298.37346 8575.1602 - 120 120 304.79786 8910.8048 - 130 130 309.05401 6351.4839 - 140 140 304.28367 4805.137 - 150 150 300.28903 7412.6411 - 160 160 299.39358 10183.593 - 170 170 296.80729 5437.1054 - 180 180 295.2755 8317.0414 - 190 190 303.25949 8338.3453 - 200 200 303.24607 9636.5224 - 210 210 298.56684 10288.264 - 220 220 293.42999 9001.0482 - 230 230 293.12497 9083.5194 - 240 240 291.92847 9659.3388 - 250 250 299.2202 6328.759 - 260 260 297.45209 10405.677 - 270 270 292.12257 7273.9369 - 280 280 289.81113 8957.8747 - 290 290 299.06683 6695.3776 - 300 300 300.75468 6298.5705 - 310 310 296.26524 7432.4815 - 320 320 294.21403 9941.7038 - 330 330 293.01776 4750.2993 - 340 340 295.22553 4968.3595 - 350 350 293.95589 9224.5496 - 360 360 297.94278 8792.0395 - 370 370 298.99075 5453.7814 - 380 380 302.1188 6229.2283 - 390 390 298.48943 8517.5273 - 400 400 295.3701 11328.394 - 410 410 287.74238 4058.0382 - 420 420 288.83732 5706.6773 - 430 430 298.8242 6178.7142 - 440 440 304.42682 10138.321 - 450 450 300.28695 9731.3417 - 460 460 300.34539 9249.4691 - 470 470 303.32231 11638.718 - 480 480 301.46777 4186.402 - 490 490 292.56069 9184.8386 - 500 500 297.26162 11766.733 - 510 510 295.34018 6436.33 - 520 520 300.16314 9325.3669 - 530 530 305.00513 5947.6408 - 540 540 300.88805 5222.7384 - 550 550 301.56707 6669.1808 - 560 560 304.89854 10730.053 - 570 570 299.50424 7956.1042 - 580 580 301.23382 10192.246 - 590 590 298.81222 6017.2125 - 600 600 300.57891 4575.433 - 610 610 301.95936 6309.7515 - 620 620 301.09393 5993.6489 - 630 630 300.47565 4388.7137 - 640 640 299.31886 9535.6093 - 650 650 295.06025 7954.5811 - 660 660 298.72666 8630.7466 - 670 670 302.53833 5636.1305 - 680 680 306.32833 12539.149 - 690 690 296.1951 11345.293 - 700 700 297.00325 6352.1448 - 710 710 298.51181 6922.4379 - 720 720 293.80125 4849.4922 - 730 730 296.52677 11141.583 - 740 740 294.15306 3527.8677 - 750 750 294.74737 8454.0815 - 760 760 292.53913 8187.9032 - 770 770 294.37078 7487.5703 - 780 780 297.50085 9198.7697 - 790 790 298.37773 8969.0024 - 800 800 293.29879 6506.6479 - 810 810 296.58266 8805.7872 - 820 820 290.85616 5248.8123 - 830 830 292.29488 5123.8203 - 840 840 292.77623 8263.5675 - 850 850 297.88225 6777.7444 - 860 860 300.01913 10439.087 - 870 870 295.79578 7318.1322 - 880 880 301.5994 8242.4774 - 890 890 306.63208 8090.6106 - 900 900 303.53759 6831.2666 - 910 910 300.70481 3811.0498 - 920 920 299.96274 8351.1573 - 930 930 299.67435 7046.0534 - 940 940 310.81742 6887.6925 - 950 950 305.09984 4811.088 - 960 960 301.33039 4184.851 - 970 970 301.19205 6417.6542 - 980 980 299.6491 7738.2233 - 990 990 297.33655 9264.0874 - 1000 1000 302.33418 7166.2751 - 1010 1010 300.08402 9121.0882 - 1020 1020 302.82225 6405.7109 - 1030 1030 304.01683 6944.0839 - 1040 1040 305.82618 6160.3838 - 1050 1050 308.12518 4356.0931 - 1060 1060 307.64811 6954.7245 - 1070 1070 313.70509 5558.9804 - 1080 1080 316.09239 7250.6147 - 1090 1090 310.2845 5441.3722 - 1100 1100 300.18899 4417.8774 - 1110 1110 304.02471 5609.1668 - 1120 1120 303.46016 10355.031 - 1130 1130 305.68165 6400.913 - 1140 1140 308.78348 7235.1894 - 1150 1150 299.30025 9246.4856 - 1160 1160 302.70799 9866.9536 - 1170 1170 302.0977 8643.5532 - 1180 1180 307.15407 8866.4664 - 1190 1190 305.78146 7562.4911 - 1200 1200 302.54605 7974.9973 - 1210 1210 306.14264 9554.2381 - 1220 1220 308.89843 6219.5361 - 1230 1230 305.71844 7633.9105 - 1240 1240 306.51911 7705.4795 - 1250 1250 304.78473 8590.5595 - 1260 1260 300.82969 9281.5964 - 1270 1270 305.9271 4951.1323 - 1280 1280 310.32728 9446.3989 - 1290 1290 318.27879 9102.5544 - 1300 1300 310.45777 5931.5457 - 1310 1310 304.81268 1214.4291 - 1320 1320 307.08811 10315.961 - 1330 1330 306.86917 8584.9658 - 1340 1340 307.26912 7254.864 - 1350 1350 310.02754 8508.6256 - 1360 1360 306.12763 4912.6641 - 1370 1370 301.67924 6715.8196 - 1380 1380 298.37239 6149.8821 - 1390 1390 299.62894 8181.4761 - 1400 1400 301.60395 6714.4244 - 1410 1410 297.65752 7035.6575 - 1420 1420 297.02817 7510.2637 - 1430 1430 303.59177 10361.937 - 1440 1440 300.10771 8473.2311 - 1450 1450 291.21837 6097.9954 - 1460 1460 291.58663 7729.0841 - 1470 1470 292.52447 6555.8661 - 1480 1480 294.48264 6960.0201 - 1490 1490 298.34869 8044.2321 - 1500 1500 296.8193 11731.289 - 1510 1510 296.52073 5452.8935 - 1520 1520 294.54819 9591.7969 - 1530 1530 297.36394 5148.5383 - 1540 1540 289.08137 6057.0981 - 1550 1550 288.27007 8965.1965 - 1560 1560 294.84398 8316.9487 - 1570 1570 299.79573 8760.7322 - 1580 1580 295.66745 5045.5322 - 1590 1590 298.14356 7161.1834 - 1600 1600 297.10402 6529.9938 - 1610 1610 299.69137 7741.6027 - 1620 1620 304.93043 11222.109 - 1630 1630 302.01322 10893.107 - 1640 1640 295.47422 8400.3124 - 1650 1650 301.93122 7190.2609 - 1660 1660 305.02639 6140.5552 - 1670 1670 302.86047 8651.5366 - 1680 1680 304.82151 9909.407 - 1690 1690 300.48426 8428.8845 - 1700 1700 293.06643 5333.8144 - 1710 1710 295.43687 9103.4353 - 1720 1720 298.77208 8162.1053 - 1730 1730 300.08189 9603.4371 - 1740 1740 303.16004 10693.291 - 1750 1750 303.54199 9151.023 - 1760 1760 300.99281 4641.2985 - 1770 1770 297.36657 3888.5753 - 1780 1780 298.32969 7286.2299 - 1790 1790 297.34183 8975.8956 - 1800 1800 295.83042 6366.7607 - 1810 1810 295.92044 9308.4953 - 1820 1820 298.10087 7117.2369 - 1830 1830 296.13936 4849.3739 - 1840 1840 296.5869 8321.4011 - 1850 1850 296.74513 9530.6806 - 1860 1860 298.57398 8788.0603 - 1870 1870 299.12825 6015.4777 - 1880 1880 301.91639 11706.441 - 1890 1890 309.85968 10909.493 - 1900 1900 302.64998 8779.8967 - 1910 1910 301.62919 9176.3902 - 1920 1920 300.66238 5369.8681 - 1930 1930 297.64499 8185.09 - 1940 1940 296.47852 10188.803 - 1950 1950 297.802 6679.4466 - 1960 1960 299.78754 7316.8198 - 1970 1970 300.09083 6008.9414 - 1980 1980 297.94119 5615.6403 - 1990 1990 298.37687 9727.308 - 2000 2000 296.08394 6400.2746 -Loop time of 41.5171 on 4 procs for 2000 steps with 2180 atoms - -Performance: 4.162 ns/day, 5.766 hours/ns, 48.173 timesteps/s -99.5% CPU use with 4 MPI tasks x no OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 38.667 | 38.954 | 39.453 | 4.8 | 93.83 -Neigh | 0.10947 | 0.11039 | 0.11153 | 0.3 | 0.27 -Comm | 1.8661 | 2.3644 | 2.652 | 19.6 | 5.70 -Output | 0.0082644 | 0.0094232 | 0.01281 | 2.0 | 0.02 -Modify | 0.024678 | 0.025206 | 0.025888 | 0.3 | 0.06 -Other | | 0.05335 | | | 0.13 - -Nlocal: 545.000 ave 559 max 531 min -Histogram: 1 0 0 0 1 1 0 0 0 1 -Nghost: 3619.00 ave 3655 max 3594 min -Histogram: 1 1 0 0 1 0 0 0 0 1 -Neighs: 65415.5 ave 66835 max 64310 min -Histogram: 1 0 0 2 0 0 0 0 0 1 - -Total # of neighbors = 261662 -Ave neighs/atom = 120.02844 -Neighbor list builds = 26 -Dangerous builds = 0 -Total wall time: 0:00:41 diff --git a/examples/PACKAGES/dpd-basic/dpdext_tstat/log.5Apr22.dpdext_tstat.g++.1 b/examples/PACKAGES/dpd-basic/dpdext_tstat/log.5Apr22.dpdext_tstat.g++.1 new file mode 100644 index 0000000000..44bebd62ce --- /dev/null +++ b/examples/PACKAGES/dpd-basic/dpdext_tstat/log.5Apr22.dpdext_tstat.g++.1 @@ -0,0 +1,106 @@ +LAMMPS (24 Mar 2022) +OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) + using 1 OpenMP thread(s) per MPI task +# Coarse-Grained SPC/E Water + +variable T equal 300.0 +variable rc equal 9.0 +variable rcD equal 10.0 + +units real +boundary p p p +atom_style atomic +dimension 3 +newton on +comm_modify vel yes + +read_data cg_spce.data +Reading data file ... + orthogonal box = (0 0 0) to (40.31 40.31 40.31) + 1 by 1 by 1 MPI processor grid + reading atoms ... + 2180 atoms + read_data CPU = 0.003 seconds + +pair_style hybrid/overlay table spline 1000 dpd/ext/tstat ${T} ${T} ${rc} 385262 +pair_style hybrid/overlay table spline 1000 dpd/ext/tstat 300 ${T} ${rc} 385262 +pair_style hybrid/overlay table spline 1000 dpd/ext/tstat 300 300 ${rc} 385262 +pair_style hybrid/overlay table spline 1000 dpd/ext/tstat 300 300 9 385262 + +pair_coeff 1 1 table cg_spce_table.pot VOTCA ${rc} +pair_coeff 1 1 table cg_spce_table.pot VOTCA 9 +WARNING: 16 of 351 force values in table VOTCA are inconsistent with -dE/dr. +WARNING: Should only be flagged at inflection points (src/pair_table.cpp:465) +pair_coeff 1 1 dpd/ext/tstat 20.0 10.0 0.5 0.5 ${rcD} +pair_coeff 1 1 dpd/ext/tstat 20.0 10.0 0.5 0.5 10 + +timestep 1.0 +run_style verlet + +velocity all create ${T} 68768932 +velocity all create 300 68768932 + +thermo_style custom step time temp press +thermo 100 + +fix 1 all nve + +run 1000 + generated 0 of 0 mixed pair_coeff terms from geometric mixing rule +Neighbor list info ... + update every 1 steps, delay 10 steps, check yes + max neighbors/atom: 2000, page size: 100000 + master list distance cutoff = 12 + ghost atom cutoff = 12 + binsize = 6, bins = 7 7 7 + 2 neighbor lists, perpetual/occasional/extra = 2 0 0 + (1) pair table, perpetual + attributes: half, newton on + pair build: half/bin/atomonly/newton + stencil: half/bin/3d + bin: standard + (2) pair dpd/ext/tstat, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none +Per MPI rank memory allocation (min/avg/max) = 5.38 | 5.38 | 5.38 Mbytes + Step Time Temp Press + 0 0 300 7353.4129 + 100 100 303.74025 4964.013 + 200 200 298.35396 8007.7802 + 300 300 298.28547 6291.5807 + 400 400 298.01797 6252.1041 + 500 500 299.88984 3489.931 + 600 600 302.5718 9092.203 + 700 700 305.38722 5909.02 + 800 800 294.81401 10282.286 + 900 900 292.40724 8338.6878 + 1000 1000 293.64788 6951.569 +Loop time of 28.1058 on 1 procs for 1000 steps with 2180 atoms + +Performance: 3.074 ns/day, 7.807 hours/ns, 35.580 timesteps/s +99.9% CPU use with 1 MPI tasks x 1 OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 27.948 | 27.948 | 27.948 | 0.0 | 99.44 +Neigh | 0.071647 | 0.071647 | 0.071647 | 0.0 | 0.25 +Comm | 0.058215 | 0.058215 | 0.058215 | 0.0 | 0.21 +Output | 0.00026724 | 0.00026724 | 0.00026724 | 0.0 | 0.00 +Modify | 0.014429 | 0.014429 | 0.014429 | 0.0 | 0.05 +Other | | 0.01283 | | | 0.05 + +Nlocal: 2180 ave 2180 max 2180 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Nghost: 6643 ave 6643 max 6643 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Neighs: 261826 ave 261826 max 261826 min +Histogram: 1 0 0 0 0 0 0 0 0 0 + +Total # of neighbors = 261826 +Ave neighs/atom = 120.10367 +Neighbor list builds = 12 +Dangerous builds = 0 +Total wall time: 0:00:28 diff --git a/examples/PACKAGES/dpd-basic/dpdext_tstat/log.5Apr22.dpdext_tstat.g++.4 b/examples/PACKAGES/dpd-basic/dpdext_tstat/log.5Apr22.dpdext_tstat.g++.4 new file mode 100644 index 0000000000..fc9e1116ec --- /dev/null +++ b/examples/PACKAGES/dpd-basic/dpdext_tstat/log.5Apr22.dpdext_tstat.g++.4 @@ -0,0 +1,106 @@ +LAMMPS (24 Mar 2022) +OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) + using 1 OpenMP thread(s) per MPI task +# Coarse-Grained SPC/E Water + +variable T equal 300.0 +variable rc equal 9.0 +variable rcD equal 10.0 + +units real +boundary p p p +atom_style atomic +dimension 3 +newton on +comm_modify vel yes + +read_data cg_spce.data +Reading data file ... + orthogonal box = (0 0 0) to (40.31 40.31 40.31) + 1 by 2 by 2 MPI processor grid + reading atoms ... + 2180 atoms + read_data CPU = 0.003 seconds + +pair_style hybrid/overlay table spline 1000 dpd/ext/tstat ${T} ${T} ${rc} 385262 +pair_style hybrid/overlay table spline 1000 dpd/ext/tstat 300 ${T} ${rc} 385262 +pair_style hybrid/overlay table spline 1000 dpd/ext/tstat 300 300 ${rc} 385262 +pair_style hybrid/overlay table spline 1000 dpd/ext/tstat 300 300 9 385262 + +pair_coeff 1 1 table cg_spce_table.pot VOTCA ${rc} +pair_coeff 1 1 table cg_spce_table.pot VOTCA 9 +WARNING: 16 of 351 force values in table VOTCA are inconsistent with -dE/dr. +WARNING: Should only be flagged at inflection points (src/pair_table.cpp:465) +pair_coeff 1 1 dpd/ext/tstat 20.0 10.0 0.5 0.5 ${rcD} +pair_coeff 1 1 dpd/ext/tstat 20.0 10.0 0.5 0.5 10 + +timestep 1.0 +run_style verlet + +velocity all create ${T} 68768932 +velocity all create 300 68768932 + +thermo_style custom step time temp press +thermo 100 + +fix 1 all nve + +run 1000 + generated 0 of 0 mixed pair_coeff terms from geometric mixing rule +Neighbor list info ... + update every 1 steps, delay 10 steps, check yes + max neighbors/atom: 2000, page size: 100000 + master list distance cutoff = 12 + ghost atom cutoff = 12 + binsize = 6, bins = 7 7 7 + 2 neighbor lists, perpetual/occasional/extra = 2 0 0 + (1) pair table, perpetual + attributes: half, newton on + pair build: half/bin/atomonly/newton + stencil: half/bin/3d + bin: standard + (2) pair dpd/ext/tstat, perpetual, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none +Per MPI rank memory allocation (min/avg/max) = 3.695 | 3.696 | 3.697 Mbytes + Step Time Temp Press + 0 0 300 5950.2338 + 100 100 301.15012 9090.2244 + 200 200 301.28795 10589.557 + 300 300 293.61974 5971.7781 + 400 400 310.4217 8198.7972 + 500 500 299.89888 9140.3132 + 600 600 305.56607 7783.4481 + 700 700 295.99415 6276.9444 + 800 800 296.50051 5058.1115 + 900 900 288.68499 8637.0269 + 1000 1000 291.17292 6516.4192 +Loop time of 7.57429 on 4 procs for 1000 steps with 2180 atoms + +Performance: 11.407 ns/day, 2.104 hours/ns, 132.026 timesteps/s +99.8% CPU use with 4 MPI tasks x 1 OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 7.2745 | 7.3674 | 7.4316 | 2.1 | 97.27 +Neigh | 0.01863 | 0.018866 | 0.019429 | 0.2 | 0.25 +Comm | 0.1123 | 0.17708 | 0.27025 | 13.8 | 2.34 +Output | 0.00019274 | 0.00021224 | 0.00026504 | 0.0 | 0.00 +Modify | 0.0041691 | 0.0042729 | 0.0043136 | 0.1 | 0.06 +Other | | 0.006464 | | | 0.09 + +Nlocal: 545 ave 552 max 531 min +Histogram: 1 0 0 0 0 0 0 0 2 1 +Nghost: 3620.5 ave 3656 max 3584 min +Histogram: 1 0 1 0 0 0 0 1 0 1 +Neighs: 65419 ave 66338 max 64104 min +Histogram: 1 0 0 0 1 0 0 0 1 1 + +Total # of neighbors = 261676 +Ave neighs/atom = 120.03486 +Neighbor list builds = 12 +Dangerous builds = 0 +Total wall time: 0:00:07 diff --git a/examples/PACKAGES/fep/README.md b/examples/PACKAGES/fep/README.md index d8f0935115..0ccf3d10c3 100644 --- a/examples/PACKAGES/fep/README.md +++ b/examples/PACKAGES/fep/README.md @@ -23,3 +23,5 @@ to the final states. * `quicktests` -- very short runs with charged Lennard-Jones atoms to test *compute fep*, *fix adapt/fep* and *pair lj/cut/coul/long/soft*. + +* `ta` -- surface tension of SPCE water without constraints. Test-area method. diff --git a/examples/PACKAGES/fep/ta/data.spce b/examples/PACKAGES/fep/ta/data.spce new file mode 100644 index 0000000000..7ed4c1cedc --- /dev/null +++ b/examples/PACKAGES/fep/ta/data.spce @@ -0,0 +1,6174 @@ +LAMMPS Description + + 3072 atoms + 2048 bonds + 1024 angles + 0 dihedrals + 0 impropers + + 2 atom types + 1 bond types + 1 angle types + + 0.0 30 xlo xhi + 0.0 30 ylo yhi + 0.0 100 zlo zhi + +Masses + +1 15.9994 # O +2 1.008 # H + +Atoms # full + +1 1 1 -0.8476 0.0 0.0 25.0 +2 1 2 0.4238 0.8164904 0.0 25.577359 +3 1 2 0.4238 -0.8164904 0.0 25.577359 +4 2 1 -0.8476 0.0 0.0 28.10342 +5 2 2 0.4238 0.8164904 0.0 28.680779 +6 2 2 0.4238 -0.8164904 0.0 28.680779 +7 3 1 -0.8476 0.0 0.0 31.20684 +8 3 2 0.4238 0.8164904 0.0 31.784199 +9 3 2 0.4238 -0.8164904 0.0 31.784199 +10 4 1 -0.8476 0.0 0.0 34.31026 +11 4 2 0.4238 0.8164904 0.0 34.887619 +12 4 2 0.4238 -0.8164904 0.0 34.887619 +13 5 1 -0.8476 0.0 0.0 37.41368 +14 5 2 0.4238 0.8164904 0.0 37.991039 +15 5 2 0.4238 -0.8164904 0.0 37.991039 +16 6 1 -0.8476 0.0 0.0 40.5171 +17 6 2 0.4238 0.8164904 0.0 41.094459 +18 6 2 0.4238 -0.8164904 0.0 41.094459 +19 7 1 -0.8476 0.0 0.0 43.62052 +20 7 2 0.4238 0.8164904 0.0 44.197879 +21 7 2 0.4238 -0.8164904 0.0 44.197879 +22 8 1 -0.8476 0.0 0.0 46.72394 +23 8 2 0.4238 0.8164904 0.0 47.301299 +24 8 2 0.4238 -0.8164904 0.0 47.301299 +25 9 1 -0.8476 0.0 0.0 49.82736 +26 9 2 0.4238 0.8164904 0.0 50.404719 +27 9 2 0.4238 -0.8164904 0.0 50.404719 +28 10 1 -0.8476 0.0 0.0 52.93078 +29 10 2 0.4238 0.8164904 0.0 53.508139 +30 10 2 0.4238 -0.8164904 0.0 53.508139 +31 11 1 -0.8476 0.0 0.0 56.0342 +32 11 2 0.4238 0.8164904 0.0 56.611559 +33 11 2 0.4238 -0.8164904 0.0 56.611559 +34 12 1 -0.8476 0.0 0.0 59.13762 +35 12 2 0.4238 0.8164904 0.0 59.714979 +36 12 2 0.4238 -0.8164904 0.0 59.714979 +37 13 1 -0.8476 0.0 0.0 62.24104 +38 13 2 0.4238 0.8164904 0.0 62.818399 +39 13 2 0.4238 -0.8164904 0.0 62.818399 +40 14 1 -0.8476 0.0 0.0 65.34446 +41 14 2 0.4238 0.8164904 0.0 65.921819 +42 14 2 0.4238 -0.8164904 0.0 65.921819 +43 15 1 -0.8476 0.0 0.0 68.44788 +44 15 2 0.4238 0.8164904 0.0 69.025239 +45 15 2 0.4238 -0.8164904 0.0 69.025239 +46 16 1 -0.8476 0.0 0.0 71.5513 +47 16 2 0.4238 0.8164904 0.0 72.128659 +48 16 2 0.4238 -0.8164904 0.0 72.128659 +49 17 1 -0.8476 0.0 3.10342 25.0 +50 17 2 0.4238 0.8164904 3.10342 25.577359 +51 17 2 0.4238 -0.8164904 3.10342 25.577359 +52 18 1 -0.8476 0.0 3.10342 28.10342 +53 18 2 0.4238 0.8164904 3.10342 28.680779 +54 18 2 0.4238 -0.8164904 3.10342 28.680779 +55 19 1 -0.8476 0.0 3.10342 31.20684 +56 19 2 0.4238 0.8164904 3.10342 31.784199 +57 19 2 0.4238 -0.8164904 3.10342 31.784199 +58 20 1 -0.8476 0.0 3.10342 34.31026 +59 20 2 0.4238 0.8164904 3.10342 34.887619 +60 20 2 0.4238 -0.8164904 3.10342 34.887619 +61 21 1 -0.8476 0.0 3.10342 37.41368 +62 21 2 0.4238 0.8164904 3.10342 37.991039 +63 21 2 0.4238 -0.8164904 3.10342 37.991039 +64 22 1 -0.8476 0.0 3.10342 40.5171 +65 22 2 0.4238 0.8164904 3.10342 41.094459 +66 22 2 0.4238 -0.8164904 3.10342 41.094459 +67 23 1 -0.8476 0.0 3.10342 43.62052 +68 23 2 0.4238 0.8164904 3.10342 44.197879 +69 23 2 0.4238 -0.8164904 3.10342 44.197879 +70 24 1 -0.8476 0.0 3.10342 46.72394 +71 24 2 0.4238 0.8164904 3.10342 47.301299 +72 24 2 0.4238 -0.8164904 3.10342 47.301299 +73 25 1 -0.8476 0.0 3.10342 49.82736 +74 25 2 0.4238 0.8164904 3.10342 50.404719 +75 25 2 0.4238 -0.8164904 3.10342 50.404719 +76 26 1 -0.8476 0.0 3.10342 52.93078 +77 26 2 0.4238 0.8164904 3.10342 53.508139 +78 26 2 0.4238 -0.8164904 3.10342 53.508139 +79 27 1 -0.8476 0.0 3.10342 56.0342 +80 27 2 0.4238 0.8164904 3.10342 56.611559 +81 27 2 0.4238 -0.8164904 3.10342 56.611559 +82 28 1 -0.8476 0.0 3.10342 59.13762 +83 28 2 0.4238 0.8164904 3.10342 59.714979 +84 28 2 0.4238 -0.8164904 3.10342 59.714979 +85 29 1 -0.8476 0.0 3.10342 62.24104 +86 29 2 0.4238 0.8164904 3.10342 62.818399 +87 29 2 0.4238 -0.8164904 3.10342 62.818399 +88 30 1 -0.8476 0.0 3.10342 65.34446 +89 30 2 0.4238 0.8164904 3.10342 65.921819 +90 30 2 0.4238 -0.8164904 3.10342 65.921819 +91 31 1 -0.8476 0.0 3.10342 68.44788 +92 31 2 0.4238 0.8164904 3.10342 69.025239 +93 31 2 0.4238 -0.8164904 3.10342 69.025239 +94 32 1 -0.8476 0.0 3.10342 71.5513 +95 32 2 0.4238 0.8164904 3.10342 72.128659 +96 32 2 0.4238 -0.8164904 3.10342 72.128659 +97 33 1 -0.8476 0.0 6.20684 25.0 +98 33 2 0.4238 0.8164904 6.20684 25.577359 +99 33 2 0.4238 -0.8164904 6.20684 25.577359 +100 34 1 -0.8476 0.0 6.20684 28.10342 +101 34 2 0.4238 0.8164904 6.20684 28.680779 +102 34 2 0.4238 -0.8164904 6.20684 28.680779 +103 35 1 -0.8476 0.0 6.20684 31.20684 +104 35 2 0.4238 0.8164904 6.20684 31.784199 +105 35 2 0.4238 -0.8164904 6.20684 31.784199 +106 36 1 -0.8476 0.0 6.20684 34.31026 +107 36 2 0.4238 0.8164904 6.20684 34.887619 +108 36 2 0.4238 -0.8164904 6.20684 34.887619 +109 37 1 -0.8476 0.0 6.20684 37.41368 +110 37 2 0.4238 0.8164904 6.20684 37.991039 +111 37 2 0.4238 -0.8164904 6.20684 37.991039 +112 38 1 -0.8476 0.0 6.20684 40.5171 +113 38 2 0.4238 0.8164904 6.20684 41.094459 +114 38 2 0.4238 -0.8164904 6.20684 41.094459 +115 39 1 -0.8476 0.0 6.20684 43.62052 +116 39 2 0.4238 0.8164904 6.20684 44.197879 +117 39 2 0.4238 -0.8164904 6.20684 44.197879 +118 40 1 -0.8476 0.0 6.20684 46.72394 +119 40 2 0.4238 0.8164904 6.20684 47.301299 +120 40 2 0.4238 -0.8164904 6.20684 47.301299 +121 41 1 -0.8476 0.0 6.20684 49.82736 +122 41 2 0.4238 0.8164904 6.20684 50.404719 +123 41 2 0.4238 -0.8164904 6.20684 50.404719 +124 42 1 -0.8476 0.0 6.20684 52.93078 +125 42 2 0.4238 0.8164904 6.20684 53.508139 +126 42 2 0.4238 -0.8164904 6.20684 53.508139 +127 43 1 -0.8476 0.0 6.20684 56.0342 +128 43 2 0.4238 0.8164904 6.20684 56.611559 +129 43 2 0.4238 -0.8164904 6.20684 56.611559 +130 44 1 -0.8476 0.0 6.20684 59.13762 +131 44 2 0.4238 0.8164904 6.20684 59.714979 +132 44 2 0.4238 -0.8164904 6.20684 59.714979 +133 45 1 -0.8476 0.0 6.20684 62.24104 +134 45 2 0.4238 0.8164904 6.20684 62.818399 +135 45 2 0.4238 -0.8164904 6.20684 62.818399 +136 46 1 -0.8476 0.0 6.20684 65.34446 +137 46 2 0.4238 0.8164904 6.20684 65.921819 +138 46 2 0.4238 -0.8164904 6.20684 65.921819 +139 47 1 -0.8476 0.0 6.20684 68.44788 +140 47 2 0.4238 0.8164904 6.20684 69.025239 +141 47 2 0.4238 -0.8164904 6.20684 69.025239 +142 48 1 -0.8476 0.0 6.20684 71.5513 +143 48 2 0.4238 0.8164904 6.20684 72.128659 +144 48 2 0.4238 -0.8164904 6.20684 72.128659 +145 49 1 -0.8476 0.0 9.31026 25.0 +146 49 2 0.4238 0.8164904 9.31026 25.577359 +147 49 2 0.4238 -0.8164904 9.31026 25.577359 +148 50 1 -0.8476 0.0 9.31026 28.10342 +149 50 2 0.4238 0.8164904 9.31026 28.680779 +150 50 2 0.4238 -0.8164904 9.31026 28.680779 +151 51 1 -0.8476 0.0 9.31026 31.20684 +152 51 2 0.4238 0.8164904 9.31026 31.784199 +153 51 2 0.4238 -0.8164904 9.31026 31.784199 +154 52 1 -0.8476 0.0 9.31026 34.31026 +155 52 2 0.4238 0.8164904 9.31026 34.887619 +156 52 2 0.4238 -0.8164904 9.31026 34.887619 +157 53 1 -0.8476 0.0 9.31026 37.41368 +158 53 2 0.4238 0.8164904 9.31026 37.991039 +159 53 2 0.4238 -0.8164904 9.31026 37.991039 +160 54 1 -0.8476 0.0 9.31026 40.5171 +161 54 2 0.4238 0.8164904 9.31026 41.094459 +162 54 2 0.4238 -0.8164904 9.31026 41.094459 +163 55 1 -0.8476 0.0 9.31026 43.62052 +164 55 2 0.4238 0.8164904 9.31026 44.197879 +165 55 2 0.4238 -0.8164904 9.31026 44.197879 +166 56 1 -0.8476 0.0 9.31026 46.72394 +167 56 2 0.4238 0.8164904 9.31026 47.301299 +168 56 2 0.4238 -0.8164904 9.31026 47.301299 +169 57 1 -0.8476 0.0 9.31026 49.82736 +170 57 2 0.4238 0.8164904 9.31026 50.404719 +171 57 2 0.4238 -0.8164904 9.31026 50.404719 +172 58 1 -0.8476 0.0 9.31026 52.93078 +173 58 2 0.4238 0.8164904 9.31026 53.508139 +174 58 2 0.4238 -0.8164904 9.31026 53.508139 +175 59 1 -0.8476 0.0 9.31026 56.0342 +176 59 2 0.4238 0.8164904 9.31026 56.611559 +177 59 2 0.4238 -0.8164904 9.31026 56.611559 +178 60 1 -0.8476 0.0 9.31026 59.13762 +179 60 2 0.4238 0.8164904 9.31026 59.714979 +180 60 2 0.4238 -0.8164904 9.31026 59.714979 +181 61 1 -0.8476 0.0 9.31026 62.24104 +182 61 2 0.4238 0.8164904 9.31026 62.818399 +183 61 2 0.4238 -0.8164904 9.31026 62.818399 +184 62 1 -0.8476 0.0 9.31026 65.34446 +185 62 2 0.4238 0.8164904 9.31026 65.921819 +186 62 2 0.4238 -0.8164904 9.31026 65.921819 +187 63 1 -0.8476 0.0 9.31026 68.44788 +188 63 2 0.4238 0.8164904 9.31026 69.025239 +189 63 2 0.4238 -0.8164904 9.31026 69.025239 +190 64 1 -0.8476 0.0 9.31026 71.5513 +191 64 2 0.4238 0.8164904 9.31026 72.128659 +192 64 2 0.4238 -0.8164904 9.31026 72.128659 +193 65 1 -0.8476 0.0 12.41368 25.0 +194 65 2 0.4238 0.8164904 12.41368 25.577359 +195 65 2 0.4238 -0.8164904 12.41368 25.577359 +196 66 1 -0.8476 0.0 12.41368 28.10342 +197 66 2 0.4238 0.8164904 12.41368 28.680779 +198 66 2 0.4238 -0.8164904 12.41368 28.680779 +199 67 1 -0.8476 0.0 12.41368 31.20684 +200 67 2 0.4238 0.8164904 12.41368 31.784199 +201 67 2 0.4238 -0.8164904 12.41368 31.784199 +202 68 1 -0.8476 0.0 12.41368 34.31026 +203 68 2 0.4238 0.8164904 12.41368 34.887619 +204 68 2 0.4238 -0.8164904 12.41368 34.887619 +205 69 1 -0.8476 0.0 12.41368 37.41368 +206 69 2 0.4238 0.8164904 12.41368 37.991039 +207 69 2 0.4238 -0.8164904 12.41368 37.991039 +208 70 1 -0.8476 0.0 12.41368 40.5171 +209 70 2 0.4238 0.8164904 12.41368 41.094459 +210 70 2 0.4238 -0.8164904 12.41368 41.094459 +211 71 1 -0.8476 0.0 12.41368 43.62052 +212 71 2 0.4238 0.8164904 12.41368 44.197879 +213 71 2 0.4238 -0.8164904 12.41368 44.197879 +214 72 1 -0.8476 0.0 12.41368 46.72394 +215 72 2 0.4238 0.8164904 12.41368 47.301299 +216 72 2 0.4238 -0.8164904 12.41368 47.301299 +217 73 1 -0.8476 0.0 12.41368 49.82736 +218 73 2 0.4238 0.8164904 12.41368 50.404719 +219 73 2 0.4238 -0.8164904 12.41368 50.404719 +220 74 1 -0.8476 0.0 12.41368 52.93078 +221 74 2 0.4238 0.8164904 12.41368 53.508139 +222 74 2 0.4238 -0.8164904 12.41368 53.508139 +223 75 1 -0.8476 0.0 12.41368 56.0342 +224 75 2 0.4238 0.8164904 12.41368 56.611559 +225 75 2 0.4238 -0.8164904 12.41368 56.611559 +226 76 1 -0.8476 0.0 12.41368 59.13762 +227 76 2 0.4238 0.8164904 12.41368 59.714979 +228 76 2 0.4238 -0.8164904 12.41368 59.714979 +229 77 1 -0.8476 0.0 12.41368 62.24104 +230 77 2 0.4238 0.8164904 12.41368 62.818399 +231 77 2 0.4238 -0.8164904 12.41368 62.818399 +232 78 1 -0.8476 0.0 12.41368 65.34446 +233 78 2 0.4238 0.8164904 12.41368 65.921819 +234 78 2 0.4238 -0.8164904 12.41368 65.921819 +235 79 1 -0.8476 0.0 12.41368 68.44788 +236 79 2 0.4238 0.8164904 12.41368 69.025239 +237 79 2 0.4238 -0.8164904 12.41368 69.025239 +238 80 1 -0.8476 0.0 12.41368 71.5513 +239 80 2 0.4238 0.8164904 12.41368 72.128659 +240 80 2 0.4238 -0.8164904 12.41368 72.128659 +241 81 1 -0.8476 0.0 15.5171 25.0 +242 81 2 0.4238 0.8164904 15.5171 25.577359 +243 81 2 0.4238 -0.8164904 15.5171 25.577359 +244 82 1 -0.8476 0.0 15.5171 28.10342 +245 82 2 0.4238 0.8164904 15.5171 28.680779 +246 82 2 0.4238 -0.8164904 15.5171 28.680779 +247 83 1 -0.8476 0.0 15.5171 31.20684 +248 83 2 0.4238 0.8164904 15.5171 31.784199 +249 83 2 0.4238 -0.8164904 15.5171 31.784199 +250 84 1 -0.8476 0.0 15.5171 34.31026 +251 84 2 0.4238 0.8164904 15.5171 34.887619 +252 84 2 0.4238 -0.8164904 15.5171 34.887619 +253 85 1 -0.8476 0.0 15.5171 37.41368 +254 85 2 0.4238 0.8164904 15.5171 37.991039 +255 85 2 0.4238 -0.8164904 15.5171 37.991039 +256 86 1 -0.8476 0.0 15.5171 40.5171 +257 86 2 0.4238 0.8164904 15.5171 41.094459 +258 86 2 0.4238 -0.8164904 15.5171 41.094459 +259 87 1 -0.8476 0.0 15.5171 43.62052 +260 87 2 0.4238 0.8164904 15.5171 44.197879 +261 87 2 0.4238 -0.8164904 15.5171 44.197879 +262 88 1 -0.8476 0.0 15.5171 46.72394 +263 88 2 0.4238 0.8164904 15.5171 47.301299 +264 88 2 0.4238 -0.8164904 15.5171 47.301299 +265 89 1 -0.8476 0.0 15.5171 49.82736 +266 89 2 0.4238 0.8164904 15.5171 50.404719 +267 89 2 0.4238 -0.8164904 15.5171 50.404719 +268 90 1 -0.8476 0.0 15.5171 52.93078 +269 90 2 0.4238 0.8164904 15.5171 53.508139 +270 90 2 0.4238 -0.8164904 15.5171 53.508139 +271 91 1 -0.8476 0.0 15.5171 56.0342 +272 91 2 0.4238 0.8164904 15.5171 56.611559 +273 91 2 0.4238 -0.8164904 15.5171 56.611559 +274 92 1 -0.8476 0.0 15.5171 59.13762 +275 92 2 0.4238 0.8164904 15.5171 59.714979 +276 92 2 0.4238 -0.8164904 15.5171 59.714979 +277 93 1 -0.8476 0.0 15.5171 62.24104 +278 93 2 0.4238 0.8164904 15.5171 62.818399 +279 93 2 0.4238 -0.8164904 15.5171 62.818399 +280 94 1 -0.8476 0.0 15.5171 65.34446 +281 94 2 0.4238 0.8164904 15.5171 65.921819 +282 94 2 0.4238 -0.8164904 15.5171 65.921819 +283 95 1 -0.8476 0.0 15.5171 68.44788 +284 95 2 0.4238 0.8164904 15.5171 69.025239 +285 95 2 0.4238 -0.8164904 15.5171 69.025239 +286 96 1 -0.8476 0.0 15.5171 71.5513 +287 96 2 0.4238 0.8164904 15.5171 72.128659 +288 96 2 0.4238 -0.8164904 15.5171 72.128659 +289 97 1 -0.8476 0.0 18.62052 25.0 +290 97 2 0.4238 0.8164904 18.62052 25.577359 +291 97 2 0.4238 -0.8164904 18.62052 25.577359 +292 98 1 -0.8476 0.0 18.62052 28.10342 +293 98 2 0.4238 0.8164904 18.62052 28.680779 +294 98 2 0.4238 -0.8164904 18.62052 28.680779 +295 99 1 -0.8476 0.0 18.62052 31.20684 +296 99 2 0.4238 0.8164904 18.62052 31.784199 +297 99 2 0.4238 -0.8164904 18.62052 31.784199 +298 100 1 -0.8476 0.0 18.62052 34.31026 +299 100 2 0.4238 0.8164904 18.62052 34.887619 +300 100 2 0.4238 -0.8164904 18.62052 34.887619 +301 101 1 -0.8476 0.0 18.62052 37.41368 +302 101 2 0.4238 0.8164904 18.62052 37.991039 +303 101 2 0.4238 -0.8164904 18.62052 37.991039 +304 102 1 -0.8476 0.0 18.62052 40.5171 +305 102 2 0.4238 0.8164904 18.62052 41.094459 +306 102 2 0.4238 -0.8164904 18.62052 41.094459 +307 103 1 -0.8476 0.0 18.62052 43.62052 +308 103 2 0.4238 0.8164904 18.62052 44.197879 +309 103 2 0.4238 -0.8164904 18.62052 44.197879 +310 104 1 -0.8476 0.0 18.62052 46.72394 +311 104 2 0.4238 0.8164904 18.62052 47.301299 +312 104 2 0.4238 -0.8164904 18.62052 47.301299 +313 105 1 -0.8476 0.0 18.62052 49.82736 +314 105 2 0.4238 0.8164904 18.62052 50.404719 +315 105 2 0.4238 -0.8164904 18.62052 50.404719 +316 106 1 -0.8476 0.0 18.62052 52.93078 +317 106 2 0.4238 0.8164904 18.62052 53.508139 +318 106 2 0.4238 -0.8164904 18.62052 53.508139 +319 107 1 -0.8476 0.0 18.62052 56.0342 +320 107 2 0.4238 0.8164904 18.62052 56.611559 +321 107 2 0.4238 -0.8164904 18.62052 56.611559 +322 108 1 -0.8476 0.0 18.62052 59.13762 +323 108 2 0.4238 0.8164904 18.62052 59.714979 +324 108 2 0.4238 -0.8164904 18.62052 59.714979 +325 109 1 -0.8476 0.0 18.62052 62.24104 +326 109 2 0.4238 0.8164904 18.62052 62.818399 +327 109 2 0.4238 -0.8164904 18.62052 62.818399 +328 110 1 -0.8476 0.0 18.62052 65.34446 +329 110 2 0.4238 0.8164904 18.62052 65.921819 +330 110 2 0.4238 -0.8164904 18.62052 65.921819 +331 111 1 -0.8476 0.0 18.62052 68.44788 +332 111 2 0.4238 0.8164904 18.62052 69.025239 +333 111 2 0.4238 -0.8164904 18.62052 69.025239 +334 112 1 -0.8476 0.0 18.62052 71.5513 +335 112 2 0.4238 0.8164904 18.62052 72.128659 +336 112 2 0.4238 -0.8164904 18.62052 72.128659 +337 113 1 -0.8476 0.0 21.72394 25.0 +338 113 2 0.4238 0.8164904 21.72394 25.577359 +339 113 2 0.4238 -0.8164904 21.72394 25.577359 +340 114 1 -0.8476 0.0 21.72394 28.10342 +341 114 2 0.4238 0.8164904 21.72394 28.680779 +342 114 2 0.4238 -0.8164904 21.72394 28.680779 +343 115 1 -0.8476 0.0 21.72394 31.20684 +344 115 2 0.4238 0.8164904 21.72394 31.784199 +345 115 2 0.4238 -0.8164904 21.72394 31.784199 +346 116 1 -0.8476 0.0 21.72394 34.31026 +347 116 2 0.4238 0.8164904 21.72394 34.887619 +348 116 2 0.4238 -0.8164904 21.72394 34.887619 +349 117 1 -0.8476 0.0 21.72394 37.41368 +350 117 2 0.4238 0.8164904 21.72394 37.991039 +351 117 2 0.4238 -0.8164904 21.72394 37.991039 +352 118 1 -0.8476 0.0 21.72394 40.5171 +353 118 2 0.4238 0.8164904 21.72394 41.094459 +354 118 2 0.4238 -0.8164904 21.72394 41.094459 +355 119 1 -0.8476 0.0 21.72394 43.62052 +356 119 2 0.4238 0.8164904 21.72394 44.197879 +357 119 2 0.4238 -0.8164904 21.72394 44.197879 +358 120 1 -0.8476 0.0 21.72394 46.72394 +359 120 2 0.4238 0.8164904 21.72394 47.301299 +360 120 2 0.4238 -0.8164904 21.72394 47.301299 +361 121 1 -0.8476 0.0 21.72394 49.82736 +362 121 2 0.4238 0.8164904 21.72394 50.404719 +363 121 2 0.4238 -0.8164904 21.72394 50.404719 +364 122 1 -0.8476 0.0 21.72394 52.93078 +365 122 2 0.4238 0.8164904 21.72394 53.508139 +366 122 2 0.4238 -0.8164904 21.72394 53.508139 +367 123 1 -0.8476 0.0 21.72394 56.0342 +368 123 2 0.4238 0.8164904 21.72394 56.611559 +369 123 2 0.4238 -0.8164904 21.72394 56.611559 +370 124 1 -0.8476 0.0 21.72394 59.13762 +371 124 2 0.4238 0.8164904 21.72394 59.714979 +372 124 2 0.4238 -0.8164904 21.72394 59.714979 +373 125 1 -0.8476 0.0 21.72394 62.24104 +374 125 2 0.4238 0.8164904 21.72394 62.818399 +375 125 2 0.4238 -0.8164904 21.72394 62.818399 +376 126 1 -0.8476 0.0 21.72394 65.34446 +377 126 2 0.4238 0.8164904 21.72394 65.921819 +378 126 2 0.4238 -0.8164904 21.72394 65.921819 +379 127 1 -0.8476 0.0 21.72394 68.44788 +380 127 2 0.4238 0.8164904 21.72394 69.025239 +381 127 2 0.4238 -0.8164904 21.72394 69.025239 +382 128 1 -0.8476 0.0 21.72394 71.5513 +383 128 2 0.4238 0.8164904 21.72394 72.128659 +384 128 2 0.4238 -0.8164904 21.72394 72.128659 +385 129 1 -0.8476 3.10342 0.0 25.0 +386 129 2 0.4238 3.9199104 0.0 25.577359 +387 129 2 0.4238 2.2869295999999997 0.0 25.577359 +388 130 1 -0.8476 3.10342 0.0 28.10342 +389 130 2 0.4238 3.9199104 0.0 28.680779 +390 130 2 0.4238 2.2869295999999997 0.0 28.680779 +391 131 1 -0.8476 3.10342 0.0 31.20684 +392 131 2 0.4238 3.9199104 0.0 31.784199 +393 131 2 0.4238 2.2869295999999997 0.0 31.784199 +394 132 1 -0.8476 3.10342 0.0 34.31026 +395 132 2 0.4238 3.9199104 0.0 34.887619 +396 132 2 0.4238 2.2869295999999997 0.0 34.887619 +397 133 1 -0.8476 3.10342 0.0 37.41368 +398 133 2 0.4238 3.9199104 0.0 37.991039 +399 133 2 0.4238 2.2869295999999997 0.0 37.991039 +400 134 1 -0.8476 3.10342 0.0 40.5171 +401 134 2 0.4238 3.9199104 0.0 41.094459 +402 134 2 0.4238 2.2869295999999997 0.0 41.094459 +403 135 1 -0.8476 3.10342 0.0 43.62052 +404 135 2 0.4238 3.9199104 0.0 44.197879 +405 135 2 0.4238 2.2869295999999997 0.0 44.197879 +406 136 1 -0.8476 3.10342 0.0 46.72394 +407 136 2 0.4238 3.9199104 0.0 47.301299 +408 136 2 0.4238 2.2869295999999997 0.0 47.301299 +409 137 1 -0.8476 3.10342 0.0 49.82736 +410 137 2 0.4238 3.9199104 0.0 50.404719 +411 137 2 0.4238 2.2869295999999997 0.0 50.404719 +412 138 1 -0.8476 3.10342 0.0 52.93078 +413 138 2 0.4238 3.9199104 0.0 53.508139 +414 138 2 0.4238 2.2869295999999997 0.0 53.508139 +415 139 1 -0.8476 3.10342 0.0 56.0342 +416 139 2 0.4238 3.9199104 0.0 56.611559 +417 139 2 0.4238 2.2869295999999997 0.0 56.611559 +418 140 1 -0.8476 3.10342 0.0 59.13762 +419 140 2 0.4238 3.9199104 0.0 59.714979 +420 140 2 0.4238 2.2869295999999997 0.0 59.714979 +421 141 1 -0.8476 3.10342 0.0 62.24104 +422 141 2 0.4238 3.9199104 0.0 62.818399 +423 141 2 0.4238 2.2869295999999997 0.0 62.818399 +424 142 1 -0.8476 3.10342 0.0 65.34446 +425 142 2 0.4238 3.9199104 0.0 65.921819 +426 142 2 0.4238 2.2869295999999997 0.0 65.921819 +427 143 1 -0.8476 3.10342 0.0 68.44788 +428 143 2 0.4238 3.9199104 0.0 69.025239 +429 143 2 0.4238 2.2869295999999997 0.0 69.025239 +430 144 1 -0.8476 3.10342 0.0 71.5513 +431 144 2 0.4238 3.9199104 0.0 72.128659 +432 144 2 0.4238 2.2869295999999997 0.0 72.128659 +433 145 1 -0.8476 3.10342 3.10342 25.0 +434 145 2 0.4238 3.9199104 3.10342 25.577359 +435 145 2 0.4238 2.2869295999999997 3.10342 25.577359 +436 146 1 -0.8476 3.10342 3.10342 28.10342 +437 146 2 0.4238 3.9199104 3.10342 28.680779 +438 146 2 0.4238 2.2869295999999997 3.10342 28.680779 +439 147 1 -0.8476 3.10342 3.10342 31.20684 +440 147 2 0.4238 3.9199104 3.10342 31.784199 +441 147 2 0.4238 2.2869295999999997 3.10342 31.784199 +442 148 1 -0.8476 3.10342 3.10342 34.31026 +443 148 2 0.4238 3.9199104 3.10342 34.887619 +444 148 2 0.4238 2.2869295999999997 3.10342 34.887619 +445 149 1 -0.8476 3.10342 3.10342 37.41368 +446 149 2 0.4238 3.9199104 3.10342 37.991039 +447 149 2 0.4238 2.2869295999999997 3.10342 37.991039 +448 150 1 -0.8476 3.10342 3.10342 40.5171 +449 150 2 0.4238 3.9199104 3.10342 41.094459 +450 150 2 0.4238 2.2869295999999997 3.10342 41.094459 +451 151 1 -0.8476 3.10342 3.10342 43.62052 +452 151 2 0.4238 3.9199104 3.10342 44.197879 +453 151 2 0.4238 2.2869295999999997 3.10342 44.197879 +454 152 1 -0.8476 3.10342 3.10342 46.72394 +455 152 2 0.4238 3.9199104 3.10342 47.301299 +456 152 2 0.4238 2.2869295999999997 3.10342 47.301299 +457 153 1 -0.8476 3.10342 3.10342 49.82736 +458 153 2 0.4238 3.9199104 3.10342 50.404719 +459 153 2 0.4238 2.2869295999999997 3.10342 50.404719 +460 154 1 -0.8476 3.10342 3.10342 52.93078 +461 154 2 0.4238 3.9199104 3.10342 53.508139 +462 154 2 0.4238 2.2869295999999997 3.10342 53.508139 +463 155 1 -0.8476 3.10342 3.10342 56.0342 +464 155 2 0.4238 3.9199104 3.10342 56.611559 +465 155 2 0.4238 2.2869295999999997 3.10342 56.611559 +466 156 1 -0.8476 3.10342 3.10342 59.13762 +467 156 2 0.4238 3.9199104 3.10342 59.714979 +468 156 2 0.4238 2.2869295999999997 3.10342 59.714979 +469 157 1 -0.8476 3.10342 3.10342 62.24104 +470 157 2 0.4238 3.9199104 3.10342 62.818399 +471 157 2 0.4238 2.2869295999999997 3.10342 62.818399 +472 158 1 -0.8476 3.10342 3.10342 65.34446 +473 158 2 0.4238 3.9199104 3.10342 65.921819 +474 158 2 0.4238 2.2869295999999997 3.10342 65.921819 +475 159 1 -0.8476 3.10342 3.10342 68.44788 +476 159 2 0.4238 3.9199104 3.10342 69.025239 +477 159 2 0.4238 2.2869295999999997 3.10342 69.025239 +478 160 1 -0.8476 3.10342 3.10342 71.5513 +479 160 2 0.4238 3.9199104 3.10342 72.128659 +480 160 2 0.4238 2.2869295999999997 3.10342 72.128659 +481 161 1 -0.8476 3.10342 6.20684 25.0 +482 161 2 0.4238 3.9199104 6.20684 25.577359 +483 161 2 0.4238 2.2869295999999997 6.20684 25.577359 +484 162 1 -0.8476 3.10342 6.20684 28.10342 +485 162 2 0.4238 3.9199104 6.20684 28.680779 +486 162 2 0.4238 2.2869295999999997 6.20684 28.680779 +487 163 1 -0.8476 3.10342 6.20684 31.20684 +488 163 2 0.4238 3.9199104 6.20684 31.784199 +489 163 2 0.4238 2.2869295999999997 6.20684 31.784199 +490 164 1 -0.8476 3.10342 6.20684 34.31026 +491 164 2 0.4238 3.9199104 6.20684 34.887619 +492 164 2 0.4238 2.2869295999999997 6.20684 34.887619 +493 165 1 -0.8476 3.10342 6.20684 37.41368 +494 165 2 0.4238 3.9199104 6.20684 37.991039 +495 165 2 0.4238 2.2869295999999997 6.20684 37.991039 +496 166 1 -0.8476 3.10342 6.20684 40.5171 +497 166 2 0.4238 3.9199104 6.20684 41.094459 +498 166 2 0.4238 2.2869295999999997 6.20684 41.094459 +499 167 1 -0.8476 3.10342 6.20684 43.62052 +500 167 2 0.4238 3.9199104 6.20684 44.197879 +501 167 2 0.4238 2.2869295999999997 6.20684 44.197879 +502 168 1 -0.8476 3.10342 6.20684 46.72394 +503 168 2 0.4238 3.9199104 6.20684 47.301299 +504 168 2 0.4238 2.2869295999999997 6.20684 47.301299 +505 169 1 -0.8476 3.10342 6.20684 49.82736 +506 169 2 0.4238 3.9199104 6.20684 50.404719 +507 169 2 0.4238 2.2869295999999997 6.20684 50.404719 +508 170 1 -0.8476 3.10342 6.20684 52.93078 +509 170 2 0.4238 3.9199104 6.20684 53.508139 +510 170 2 0.4238 2.2869295999999997 6.20684 53.508139 +511 171 1 -0.8476 3.10342 6.20684 56.0342 +512 171 2 0.4238 3.9199104 6.20684 56.611559 +513 171 2 0.4238 2.2869295999999997 6.20684 56.611559 +514 172 1 -0.8476 3.10342 6.20684 59.13762 +515 172 2 0.4238 3.9199104 6.20684 59.714979 +516 172 2 0.4238 2.2869295999999997 6.20684 59.714979 +517 173 1 -0.8476 3.10342 6.20684 62.24104 +518 173 2 0.4238 3.9199104 6.20684 62.818399 +519 173 2 0.4238 2.2869295999999997 6.20684 62.818399 +520 174 1 -0.8476 3.10342 6.20684 65.34446 +521 174 2 0.4238 3.9199104 6.20684 65.921819 +522 174 2 0.4238 2.2869295999999997 6.20684 65.921819 +523 175 1 -0.8476 3.10342 6.20684 68.44788 +524 175 2 0.4238 3.9199104 6.20684 69.025239 +525 175 2 0.4238 2.2869295999999997 6.20684 69.025239 +526 176 1 -0.8476 3.10342 6.20684 71.5513 +527 176 2 0.4238 3.9199104 6.20684 72.128659 +528 176 2 0.4238 2.2869295999999997 6.20684 72.128659 +529 177 1 -0.8476 3.10342 9.31026 25.0 +530 177 2 0.4238 3.9199104 9.31026 25.577359 +531 177 2 0.4238 2.2869295999999997 9.31026 25.577359 +532 178 1 -0.8476 3.10342 9.31026 28.10342 +533 178 2 0.4238 3.9199104 9.31026 28.680779 +534 178 2 0.4238 2.2869295999999997 9.31026 28.680779 +535 179 1 -0.8476 3.10342 9.31026 31.20684 +536 179 2 0.4238 3.9199104 9.31026 31.784199 +537 179 2 0.4238 2.2869295999999997 9.31026 31.784199 +538 180 1 -0.8476 3.10342 9.31026 34.31026 +539 180 2 0.4238 3.9199104 9.31026 34.887619 +540 180 2 0.4238 2.2869295999999997 9.31026 34.887619 +541 181 1 -0.8476 3.10342 9.31026 37.41368 +542 181 2 0.4238 3.9199104 9.31026 37.991039 +543 181 2 0.4238 2.2869295999999997 9.31026 37.991039 +544 182 1 -0.8476 3.10342 9.31026 40.5171 +545 182 2 0.4238 3.9199104 9.31026 41.094459 +546 182 2 0.4238 2.2869295999999997 9.31026 41.094459 +547 183 1 -0.8476 3.10342 9.31026 43.62052 +548 183 2 0.4238 3.9199104 9.31026 44.197879 +549 183 2 0.4238 2.2869295999999997 9.31026 44.197879 +550 184 1 -0.8476 3.10342 9.31026 46.72394 +551 184 2 0.4238 3.9199104 9.31026 47.301299 +552 184 2 0.4238 2.2869295999999997 9.31026 47.301299 +553 185 1 -0.8476 3.10342 9.31026 49.82736 +554 185 2 0.4238 3.9199104 9.31026 50.404719 +555 185 2 0.4238 2.2869295999999997 9.31026 50.404719 +556 186 1 -0.8476 3.10342 9.31026 52.93078 +557 186 2 0.4238 3.9199104 9.31026 53.508139 +558 186 2 0.4238 2.2869295999999997 9.31026 53.508139 +559 187 1 -0.8476 3.10342 9.31026 56.0342 +560 187 2 0.4238 3.9199104 9.31026 56.611559 +561 187 2 0.4238 2.2869295999999997 9.31026 56.611559 +562 188 1 -0.8476 3.10342 9.31026 59.13762 +563 188 2 0.4238 3.9199104 9.31026 59.714979 +564 188 2 0.4238 2.2869295999999997 9.31026 59.714979 +565 189 1 -0.8476 3.10342 9.31026 62.24104 +566 189 2 0.4238 3.9199104 9.31026 62.818399 +567 189 2 0.4238 2.2869295999999997 9.31026 62.818399 +568 190 1 -0.8476 3.10342 9.31026 65.34446 +569 190 2 0.4238 3.9199104 9.31026 65.921819 +570 190 2 0.4238 2.2869295999999997 9.31026 65.921819 +571 191 1 -0.8476 3.10342 9.31026 68.44788 +572 191 2 0.4238 3.9199104 9.31026 69.025239 +573 191 2 0.4238 2.2869295999999997 9.31026 69.025239 +574 192 1 -0.8476 3.10342 9.31026 71.5513 +575 192 2 0.4238 3.9199104 9.31026 72.128659 +576 192 2 0.4238 2.2869295999999997 9.31026 72.128659 +577 193 1 -0.8476 3.10342 12.41368 25.0 +578 193 2 0.4238 3.9199104 12.41368 25.577359 +579 193 2 0.4238 2.2869295999999997 12.41368 25.577359 +580 194 1 -0.8476 3.10342 12.41368 28.10342 +581 194 2 0.4238 3.9199104 12.41368 28.680779 +582 194 2 0.4238 2.2869295999999997 12.41368 28.680779 +583 195 1 -0.8476 3.10342 12.41368 31.20684 +584 195 2 0.4238 3.9199104 12.41368 31.784199 +585 195 2 0.4238 2.2869295999999997 12.41368 31.784199 +586 196 1 -0.8476 3.10342 12.41368 34.31026 +587 196 2 0.4238 3.9199104 12.41368 34.887619 +588 196 2 0.4238 2.2869295999999997 12.41368 34.887619 +589 197 1 -0.8476 3.10342 12.41368 37.41368 +590 197 2 0.4238 3.9199104 12.41368 37.991039 +591 197 2 0.4238 2.2869295999999997 12.41368 37.991039 +592 198 1 -0.8476 3.10342 12.41368 40.5171 +593 198 2 0.4238 3.9199104 12.41368 41.094459 +594 198 2 0.4238 2.2869295999999997 12.41368 41.094459 +595 199 1 -0.8476 3.10342 12.41368 43.62052 +596 199 2 0.4238 3.9199104 12.41368 44.197879 +597 199 2 0.4238 2.2869295999999997 12.41368 44.197879 +598 200 1 -0.8476 3.10342 12.41368 46.72394 +599 200 2 0.4238 3.9199104 12.41368 47.301299 +600 200 2 0.4238 2.2869295999999997 12.41368 47.301299 +601 201 1 -0.8476 3.10342 12.41368 49.82736 +602 201 2 0.4238 3.9199104 12.41368 50.404719 +603 201 2 0.4238 2.2869295999999997 12.41368 50.404719 +604 202 1 -0.8476 3.10342 12.41368 52.93078 +605 202 2 0.4238 3.9199104 12.41368 53.508139 +606 202 2 0.4238 2.2869295999999997 12.41368 53.508139 +607 203 1 -0.8476 3.10342 12.41368 56.0342 +608 203 2 0.4238 3.9199104 12.41368 56.611559 +609 203 2 0.4238 2.2869295999999997 12.41368 56.611559 +610 204 1 -0.8476 3.10342 12.41368 59.13762 +611 204 2 0.4238 3.9199104 12.41368 59.714979 +612 204 2 0.4238 2.2869295999999997 12.41368 59.714979 +613 205 1 -0.8476 3.10342 12.41368 62.24104 +614 205 2 0.4238 3.9199104 12.41368 62.818399 +615 205 2 0.4238 2.2869295999999997 12.41368 62.818399 +616 206 1 -0.8476 3.10342 12.41368 65.34446 +617 206 2 0.4238 3.9199104 12.41368 65.921819 +618 206 2 0.4238 2.2869295999999997 12.41368 65.921819 +619 207 1 -0.8476 3.10342 12.41368 68.44788 +620 207 2 0.4238 3.9199104 12.41368 69.025239 +621 207 2 0.4238 2.2869295999999997 12.41368 69.025239 +622 208 1 -0.8476 3.10342 12.41368 71.5513 +623 208 2 0.4238 3.9199104 12.41368 72.128659 +624 208 2 0.4238 2.2869295999999997 12.41368 72.128659 +625 209 1 -0.8476 3.10342 15.5171 25.0 +626 209 2 0.4238 3.9199104 15.5171 25.577359 +627 209 2 0.4238 2.2869295999999997 15.5171 25.577359 +628 210 1 -0.8476 3.10342 15.5171 28.10342 +629 210 2 0.4238 3.9199104 15.5171 28.680779 +630 210 2 0.4238 2.2869295999999997 15.5171 28.680779 +631 211 1 -0.8476 3.10342 15.5171 31.20684 +632 211 2 0.4238 3.9199104 15.5171 31.784199 +633 211 2 0.4238 2.2869295999999997 15.5171 31.784199 +634 212 1 -0.8476 3.10342 15.5171 34.31026 +635 212 2 0.4238 3.9199104 15.5171 34.887619 +636 212 2 0.4238 2.2869295999999997 15.5171 34.887619 +637 213 1 -0.8476 3.10342 15.5171 37.41368 +638 213 2 0.4238 3.9199104 15.5171 37.991039 +639 213 2 0.4238 2.2869295999999997 15.5171 37.991039 +640 214 1 -0.8476 3.10342 15.5171 40.5171 +641 214 2 0.4238 3.9199104 15.5171 41.094459 +642 214 2 0.4238 2.2869295999999997 15.5171 41.094459 +643 215 1 -0.8476 3.10342 15.5171 43.62052 +644 215 2 0.4238 3.9199104 15.5171 44.197879 +645 215 2 0.4238 2.2869295999999997 15.5171 44.197879 +646 216 1 -0.8476 3.10342 15.5171 46.72394 +647 216 2 0.4238 3.9199104 15.5171 47.301299 +648 216 2 0.4238 2.2869295999999997 15.5171 47.301299 +649 217 1 -0.8476 3.10342 15.5171 49.82736 +650 217 2 0.4238 3.9199104 15.5171 50.404719 +651 217 2 0.4238 2.2869295999999997 15.5171 50.404719 +652 218 1 -0.8476 3.10342 15.5171 52.93078 +653 218 2 0.4238 3.9199104 15.5171 53.508139 +654 218 2 0.4238 2.2869295999999997 15.5171 53.508139 +655 219 1 -0.8476 3.10342 15.5171 56.0342 +656 219 2 0.4238 3.9199104 15.5171 56.611559 +657 219 2 0.4238 2.2869295999999997 15.5171 56.611559 +658 220 1 -0.8476 3.10342 15.5171 59.13762 +659 220 2 0.4238 3.9199104 15.5171 59.714979 +660 220 2 0.4238 2.2869295999999997 15.5171 59.714979 +661 221 1 -0.8476 3.10342 15.5171 62.24104 +662 221 2 0.4238 3.9199104 15.5171 62.818399 +663 221 2 0.4238 2.2869295999999997 15.5171 62.818399 +664 222 1 -0.8476 3.10342 15.5171 65.34446 +665 222 2 0.4238 3.9199104 15.5171 65.921819 +666 222 2 0.4238 2.2869295999999997 15.5171 65.921819 +667 223 1 -0.8476 3.10342 15.5171 68.44788 +668 223 2 0.4238 3.9199104 15.5171 69.025239 +669 223 2 0.4238 2.2869295999999997 15.5171 69.025239 +670 224 1 -0.8476 3.10342 15.5171 71.5513 +671 224 2 0.4238 3.9199104 15.5171 72.128659 +672 224 2 0.4238 2.2869295999999997 15.5171 72.128659 +673 225 1 -0.8476 3.10342 18.62052 25.0 +674 225 2 0.4238 3.9199104 18.62052 25.577359 +675 225 2 0.4238 2.2869295999999997 18.62052 25.577359 +676 226 1 -0.8476 3.10342 18.62052 28.10342 +677 226 2 0.4238 3.9199104 18.62052 28.680779 +678 226 2 0.4238 2.2869295999999997 18.62052 28.680779 +679 227 1 -0.8476 3.10342 18.62052 31.20684 +680 227 2 0.4238 3.9199104 18.62052 31.784199 +681 227 2 0.4238 2.2869295999999997 18.62052 31.784199 +682 228 1 -0.8476 3.10342 18.62052 34.31026 +683 228 2 0.4238 3.9199104 18.62052 34.887619 +684 228 2 0.4238 2.2869295999999997 18.62052 34.887619 +685 229 1 -0.8476 3.10342 18.62052 37.41368 +686 229 2 0.4238 3.9199104 18.62052 37.991039 +687 229 2 0.4238 2.2869295999999997 18.62052 37.991039 +688 230 1 -0.8476 3.10342 18.62052 40.5171 +689 230 2 0.4238 3.9199104 18.62052 41.094459 +690 230 2 0.4238 2.2869295999999997 18.62052 41.094459 +691 231 1 -0.8476 3.10342 18.62052 43.62052 +692 231 2 0.4238 3.9199104 18.62052 44.197879 +693 231 2 0.4238 2.2869295999999997 18.62052 44.197879 +694 232 1 -0.8476 3.10342 18.62052 46.72394 +695 232 2 0.4238 3.9199104 18.62052 47.301299 +696 232 2 0.4238 2.2869295999999997 18.62052 47.301299 +697 233 1 -0.8476 3.10342 18.62052 49.82736 +698 233 2 0.4238 3.9199104 18.62052 50.404719 +699 233 2 0.4238 2.2869295999999997 18.62052 50.404719 +700 234 1 -0.8476 3.10342 18.62052 52.93078 +701 234 2 0.4238 3.9199104 18.62052 53.508139 +702 234 2 0.4238 2.2869295999999997 18.62052 53.508139 +703 235 1 -0.8476 3.10342 18.62052 56.0342 +704 235 2 0.4238 3.9199104 18.62052 56.611559 +705 235 2 0.4238 2.2869295999999997 18.62052 56.611559 +706 236 1 -0.8476 3.10342 18.62052 59.13762 +707 236 2 0.4238 3.9199104 18.62052 59.714979 +708 236 2 0.4238 2.2869295999999997 18.62052 59.714979 +709 237 1 -0.8476 3.10342 18.62052 62.24104 +710 237 2 0.4238 3.9199104 18.62052 62.818399 +711 237 2 0.4238 2.2869295999999997 18.62052 62.818399 +712 238 1 -0.8476 3.10342 18.62052 65.34446 +713 238 2 0.4238 3.9199104 18.62052 65.921819 +714 238 2 0.4238 2.2869295999999997 18.62052 65.921819 +715 239 1 -0.8476 3.10342 18.62052 68.44788 +716 239 2 0.4238 3.9199104 18.62052 69.025239 +717 239 2 0.4238 2.2869295999999997 18.62052 69.025239 +718 240 1 -0.8476 3.10342 18.62052 71.5513 +719 240 2 0.4238 3.9199104 18.62052 72.128659 +720 240 2 0.4238 2.2869295999999997 18.62052 72.128659 +721 241 1 -0.8476 3.10342 21.72394 25.0 +722 241 2 0.4238 3.9199104 21.72394 25.577359 +723 241 2 0.4238 2.2869295999999997 21.72394 25.577359 +724 242 1 -0.8476 3.10342 21.72394 28.10342 +725 242 2 0.4238 3.9199104 21.72394 28.680779 +726 242 2 0.4238 2.2869295999999997 21.72394 28.680779 +727 243 1 -0.8476 3.10342 21.72394 31.20684 +728 243 2 0.4238 3.9199104 21.72394 31.784199 +729 243 2 0.4238 2.2869295999999997 21.72394 31.784199 +730 244 1 -0.8476 3.10342 21.72394 34.31026 +731 244 2 0.4238 3.9199104 21.72394 34.887619 +732 244 2 0.4238 2.2869295999999997 21.72394 34.887619 +733 245 1 -0.8476 3.10342 21.72394 37.41368 +734 245 2 0.4238 3.9199104 21.72394 37.991039 +735 245 2 0.4238 2.2869295999999997 21.72394 37.991039 +736 246 1 -0.8476 3.10342 21.72394 40.5171 +737 246 2 0.4238 3.9199104 21.72394 41.094459 +738 246 2 0.4238 2.2869295999999997 21.72394 41.094459 +739 247 1 -0.8476 3.10342 21.72394 43.62052 +740 247 2 0.4238 3.9199104 21.72394 44.197879 +741 247 2 0.4238 2.2869295999999997 21.72394 44.197879 +742 248 1 -0.8476 3.10342 21.72394 46.72394 +743 248 2 0.4238 3.9199104 21.72394 47.301299 +744 248 2 0.4238 2.2869295999999997 21.72394 47.301299 +745 249 1 -0.8476 3.10342 21.72394 49.82736 +746 249 2 0.4238 3.9199104 21.72394 50.404719 +747 249 2 0.4238 2.2869295999999997 21.72394 50.404719 +748 250 1 -0.8476 3.10342 21.72394 52.93078 +749 250 2 0.4238 3.9199104 21.72394 53.508139 +750 250 2 0.4238 2.2869295999999997 21.72394 53.508139 +751 251 1 -0.8476 3.10342 21.72394 56.0342 +752 251 2 0.4238 3.9199104 21.72394 56.611559 +753 251 2 0.4238 2.2869295999999997 21.72394 56.611559 +754 252 1 -0.8476 3.10342 21.72394 59.13762 +755 252 2 0.4238 3.9199104 21.72394 59.714979 +756 252 2 0.4238 2.2869295999999997 21.72394 59.714979 +757 253 1 -0.8476 3.10342 21.72394 62.24104 +758 253 2 0.4238 3.9199104 21.72394 62.818399 +759 253 2 0.4238 2.2869295999999997 21.72394 62.818399 +760 254 1 -0.8476 3.10342 21.72394 65.34446 +761 254 2 0.4238 3.9199104 21.72394 65.921819 +762 254 2 0.4238 2.2869295999999997 21.72394 65.921819 +763 255 1 -0.8476 3.10342 21.72394 68.44788 +764 255 2 0.4238 3.9199104 21.72394 69.025239 +765 255 2 0.4238 2.2869295999999997 21.72394 69.025239 +766 256 1 -0.8476 3.10342 21.72394 71.5513 +767 256 2 0.4238 3.9199104 21.72394 72.128659 +768 256 2 0.4238 2.2869295999999997 21.72394 72.128659 +769 257 1 -0.8476 6.20684 0.0 25.0 +770 257 2 0.4238 7.0233304 0.0 25.577359 +771 257 2 0.4238 5.3903495999999995 0.0 25.577359 +772 258 1 -0.8476 6.20684 0.0 28.10342 +773 258 2 0.4238 7.0233304 0.0 28.680779 +774 258 2 0.4238 5.3903495999999995 0.0 28.680779 +775 259 1 -0.8476 6.20684 0.0 31.20684 +776 259 2 0.4238 7.0233304 0.0 31.784199 +777 259 2 0.4238 5.3903495999999995 0.0 31.784199 +778 260 1 -0.8476 6.20684 0.0 34.31026 +779 260 2 0.4238 7.0233304 0.0 34.887619 +780 260 2 0.4238 5.3903495999999995 0.0 34.887619 +781 261 1 -0.8476 6.20684 0.0 37.41368 +782 261 2 0.4238 7.0233304 0.0 37.991039 +783 261 2 0.4238 5.3903495999999995 0.0 37.991039 +784 262 1 -0.8476 6.20684 0.0 40.5171 +785 262 2 0.4238 7.0233304 0.0 41.094459 +786 262 2 0.4238 5.3903495999999995 0.0 41.094459 +787 263 1 -0.8476 6.20684 0.0 43.62052 +788 263 2 0.4238 7.0233304 0.0 44.197879 +789 263 2 0.4238 5.3903495999999995 0.0 44.197879 +790 264 1 -0.8476 6.20684 0.0 46.72394 +791 264 2 0.4238 7.0233304 0.0 47.301299 +792 264 2 0.4238 5.3903495999999995 0.0 47.301299 +793 265 1 -0.8476 6.20684 0.0 49.82736 +794 265 2 0.4238 7.0233304 0.0 50.404719 +795 265 2 0.4238 5.3903495999999995 0.0 50.404719 +796 266 1 -0.8476 6.20684 0.0 52.93078 +797 266 2 0.4238 7.0233304 0.0 53.508139 +798 266 2 0.4238 5.3903495999999995 0.0 53.508139 +799 267 1 -0.8476 6.20684 0.0 56.0342 +800 267 2 0.4238 7.0233304 0.0 56.611559 +801 267 2 0.4238 5.3903495999999995 0.0 56.611559 +802 268 1 -0.8476 6.20684 0.0 59.13762 +803 268 2 0.4238 7.0233304 0.0 59.714979 +804 268 2 0.4238 5.3903495999999995 0.0 59.714979 +805 269 1 -0.8476 6.20684 0.0 62.24104 +806 269 2 0.4238 7.0233304 0.0 62.818399 +807 269 2 0.4238 5.3903495999999995 0.0 62.818399 +808 270 1 -0.8476 6.20684 0.0 65.34446 +809 270 2 0.4238 7.0233304 0.0 65.921819 +810 270 2 0.4238 5.3903495999999995 0.0 65.921819 +811 271 1 -0.8476 6.20684 0.0 68.44788 +812 271 2 0.4238 7.0233304 0.0 69.025239 +813 271 2 0.4238 5.3903495999999995 0.0 69.025239 +814 272 1 -0.8476 6.20684 0.0 71.5513 +815 272 2 0.4238 7.0233304 0.0 72.128659 +816 272 2 0.4238 5.3903495999999995 0.0 72.128659 +817 273 1 -0.8476 6.20684 3.10342 25.0 +818 273 2 0.4238 7.0233304 3.10342 25.577359 +819 273 2 0.4238 5.3903495999999995 3.10342 25.577359 +820 274 1 -0.8476 6.20684 3.10342 28.10342 +821 274 2 0.4238 7.0233304 3.10342 28.680779 +822 274 2 0.4238 5.3903495999999995 3.10342 28.680779 +823 275 1 -0.8476 6.20684 3.10342 31.20684 +824 275 2 0.4238 7.0233304 3.10342 31.784199 +825 275 2 0.4238 5.3903495999999995 3.10342 31.784199 +826 276 1 -0.8476 6.20684 3.10342 34.31026 +827 276 2 0.4238 7.0233304 3.10342 34.887619 +828 276 2 0.4238 5.3903495999999995 3.10342 34.887619 +829 277 1 -0.8476 6.20684 3.10342 37.41368 +830 277 2 0.4238 7.0233304 3.10342 37.991039 +831 277 2 0.4238 5.3903495999999995 3.10342 37.991039 +832 278 1 -0.8476 6.20684 3.10342 40.5171 +833 278 2 0.4238 7.0233304 3.10342 41.094459 +834 278 2 0.4238 5.3903495999999995 3.10342 41.094459 +835 279 1 -0.8476 6.20684 3.10342 43.62052 +836 279 2 0.4238 7.0233304 3.10342 44.197879 +837 279 2 0.4238 5.3903495999999995 3.10342 44.197879 +838 280 1 -0.8476 6.20684 3.10342 46.72394 +839 280 2 0.4238 7.0233304 3.10342 47.301299 +840 280 2 0.4238 5.3903495999999995 3.10342 47.301299 +841 281 1 -0.8476 6.20684 3.10342 49.82736 +842 281 2 0.4238 7.0233304 3.10342 50.404719 +843 281 2 0.4238 5.3903495999999995 3.10342 50.404719 +844 282 1 -0.8476 6.20684 3.10342 52.93078 +845 282 2 0.4238 7.0233304 3.10342 53.508139 +846 282 2 0.4238 5.3903495999999995 3.10342 53.508139 +847 283 1 -0.8476 6.20684 3.10342 56.0342 +848 283 2 0.4238 7.0233304 3.10342 56.611559 +849 283 2 0.4238 5.3903495999999995 3.10342 56.611559 +850 284 1 -0.8476 6.20684 3.10342 59.13762 +851 284 2 0.4238 7.0233304 3.10342 59.714979 +852 284 2 0.4238 5.3903495999999995 3.10342 59.714979 +853 285 1 -0.8476 6.20684 3.10342 62.24104 +854 285 2 0.4238 7.0233304 3.10342 62.818399 +855 285 2 0.4238 5.3903495999999995 3.10342 62.818399 +856 286 1 -0.8476 6.20684 3.10342 65.34446 +857 286 2 0.4238 7.0233304 3.10342 65.921819 +858 286 2 0.4238 5.3903495999999995 3.10342 65.921819 +859 287 1 -0.8476 6.20684 3.10342 68.44788 +860 287 2 0.4238 7.0233304 3.10342 69.025239 +861 287 2 0.4238 5.3903495999999995 3.10342 69.025239 +862 288 1 -0.8476 6.20684 3.10342 71.5513 +863 288 2 0.4238 7.0233304 3.10342 72.128659 +864 288 2 0.4238 5.3903495999999995 3.10342 72.128659 +865 289 1 -0.8476 6.20684 6.20684 25.0 +866 289 2 0.4238 7.0233304 6.20684 25.577359 +867 289 2 0.4238 5.3903495999999995 6.20684 25.577359 +868 290 1 -0.8476 6.20684 6.20684 28.10342 +869 290 2 0.4238 7.0233304 6.20684 28.680779 +870 290 2 0.4238 5.3903495999999995 6.20684 28.680779 +871 291 1 -0.8476 6.20684 6.20684 31.20684 +872 291 2 0.4238 7.0233304 6.20684 31.784199 +873 291 2 0.4238 5.3903495999999995 6.20684 31.784199 +874 292 1 -0.8476 6.20684 6.20684 34.31026 +875 292 2 0.4238 7.0233304 6.20684 34.887619 +876 292 2 0.4238 5.3903495999999995 6.20684 34.887619 +877 293 1 -0.8476 6.20684 6.20684 37.41368 +878 293 2 0.4238 7.0233304 6.20684 37.991039 +879 293 2 0.4238 5.3903495999999995 6.20684 37.991039 +880 294 1 -0.8476 6.20684 6.20684 40.5171 +881 294 2 0.4238 7.0233304 6.20684 41.094459 +882 294 2 0.4238 5.3903495999999995 6.20684 41.094459 +883 295 1 -0.8476 6.20684 6.20684 43.62052 +884 295 2 0.4238 7.0233304 6.20684 44.197879 +885 295 2 0.4238 5.3903495999999995 6.20684 44.197879 +886 296 1 -0.8476 6.20684 6.20684 46.72394 +887 296 2 0.4238 7.0233304 6.20684 47.301299 +888 296 2 0.4238 5.3903495999999995 6.20684 47.301299 +889 297 1 -0.8476 6.20684 6.20684 49.82736 +890 297 2 0.4238 7.0233304 6.20684 50.404719 +891 297 2 0.4238 5.3903495999999995 6.20684 50.404719 +892 298 1 -0.8476 6.20684 6.20684 52.93078 +893 298 2 0.4238 7.0233304 6.20684 53.508139 +894 298 2 0.4238 5.3903495999999995 6.20684 53.508139 +895 299 1 -0.8476 6.20684 6.20684 56.0342 +896 299 2 0.4238 7.0233304 6.20684 56.611559 +897 299 2 0.4238 5.3903495999999995 6.20684 56.611559 +898 300 1 -0.8476 6.20684 6.20684 59.13762 +899 300 2 0.4238 7.0233304 6.20684 59.714979 +900 300 2 0.4238 5.3903495999999995 6.20684 59.714979 +901 301 1 -0.8476 6.20684 6.20684 62.24104 +902 301 2 0.4238 7.0233304 6.20684 62.818399 +903 301 2 0.4238 5.3903495999999995 6.20684 62.818399 +904 302 1 -0.8476 6.20684 6.20684 65.34446 +905 302 2 0.4238 7.0233304 6.20684 65.921819 +906 302 2 0.4238 5.3903495999999995 6.20684 65.921819 +907 303 1 -0.8476 6.20684 6.20684 68.44788 +908 303 2 0.4238 7.0233304 6.20684 69.025239 +909 303 2 0.4238 5.3903495999999995 6.20684 69.025239 +910 304 1 -0.8476 6.20684 6.20684 71.5513 +911 304 2 0.4238 7.0233304 6.20684 72.128659 +912 304 2 0.4238 5.3903495999999995 6.20684 72.128659 +913 305 1 -0.8476 6.20684 9.31026 25.0 +914 305 2 0.4238 7.0233304 9.31026 25.577359 +915 305 2 0.4238 5.3903495999999995 9.31026 25.577359 +916 306 1 -0.8476 6.20684 9.31026 28.10342 +917 306 2 0.4238 7.0233304 9.31026 28.680779 +918 306 2 0.4238 5.3903495999999995 9.31026 28.680779 +919 307 1 -0.8476 6.20684 9.31026 31.20684 +920 307 2 0.4238 7.0233304 9.31026 31.784199 +921 307 2 0.4238 5.3903495999999995 9.31026 31.784199 +922 308 1 -0.8476 6.20684 9.31026 34.31026 +923 308 2 0.4238 7.0233304 9.31026 34.887619 +924 308 2 0.4238 5.3903495999999995 9.31026 34.887619 +925 309 1 -0.8476 6.20684 9.31026 37.41368 +926 309 2 0.4238 7.0233304 9.31026 37.991039 +927 309 2 0.4238 5.3903495999999995 9.31026 37.991039 +928 310 1 -0.8476 6.20684 9.31026 40.5171 +929 310 2 0.4238 7.0233304 9.31026 41.094459 +930 310 2 0.4238 5.3903495999999995 9.31026 41.094459 +931 311 1 -0.8476 6.20684 9.31026 43.62052 +932 311 2 0.4238 7.0233304 9.31026 44.197879 +933 311 2 0.4238 5.3903495999999995 9.31026 44.197879 +934 312 1 -0.8476 6.20684 9.31026 46.72394 +935 312 2 0.4238 7.0233304 9.31026 47.301299 +936 312 2 0.4238 5.3903495999999995 9.31026 47.301299 +937 313 1 -0.8476 6.20684 9.31026 49.82736 +938 313 2 0.4238 7.0233304 9.31026 50.404719 +939 313 2 0.4238 5.3903495999999995 9.31026 50.404719 +940 314 1 -0.8476 6.20684 9.31026 52.93078 +941 314 2 0.4238 7.0233304 9.31026 53.508139 +942 314 2 0.4238 5.3903495999999995 9.31026 53.508139 +943 315 1 -0.8476 6.20684 9.31026 56.0342 +944 315 2 0.4238 7.0233304 9.31026 56.611559 +945 315 2 0.4238 5.3903495999999995 9.31026 56.611559 +946 316 1 -0.8476 6.20684 9.31026 59.13762 +947 316 2 0.4238 7.0233304 9.31026 59.714979 +948 316 2 0.4238 5.3903495999999995 9.31026 59.714979 +949 317 1 -0.8476 6.20684 9.31026 62.24104 +950 317 2 0.4238 7.0233304 9.31026 62.818399 +951 317 2 0.4238 5.3903495999999995 9.31026 62.818399 +952 318 1 -0.8476 6.20684 9.31026 65.34446 +953 318 2 0.4238 7.0233304 9.31026 65.921819 +954 318 2 0.4238 5.3903495999999995 9.31026 65.921819 +955 319 1 -0.8476 6.20684 9.31026 68.44788 +956 319 2 0.4238 7.0233304 9.31026 69.025239 +957 319 2 0.4238 5.3903495999999995 9.31026 69.025239 +958 320 1 -0.8476 6.20684 9.31026 71.5513 +959 320 2 0.4238 7.0233304 9.31026 72.128659 +960 320 2 0.4238 5.3903495999999995 9.31026 72.128659 +961 321 1 -0.8476 6.20684 12.41368 25.0 +962 321 2 0.4238 7.0233304 12.41368 25.577359 +963 321 2 0.4238 5.3903495999999995 12.41368 25.577359 +964 322 1 -0.8476 6.20684 12.41368 28.10342 +965 322 2 0.4238 7.0233304 12.41368 28.680779 +966 322 2 0.4238 5.3903495999999995 12.41368 28.680779 +967 323 1 -0.8476 6.20684 12.41368 31.20684 +968 323 2 0.4238 7.0233304 12.41368 31.784199 +969 323 2 0.4238 5.3903495999999995 12.41368 31.784199 +970 324 1 -0.8476 6.20684 12.41368 34.31026 +971 324 2 0.4238 7.0233304 12.41368 34.887619 +972 324 2 0.4238 5.3903495999999995 12.41368 34.887619 +973 325 1 -0.8476 6.20684 12.41368 37.41368 +974 325 2 0.4238 7.0233304 12.41368 37.991039 +975 325 2 0.4238 5.3903495999999995 12.41368 37.991039 +976 326 1 -0.8476 6.20684 12.41368 40.5171 +977 326 2 0.4238 7.0233304 12.41368 41.094459 +978 326 2 0.4238 5.3903495999999995 12.41368 41.094459 +979 327 1 -0.8476 6.20684 12.41368 43.62052 +980 327 2 0.4238 7.0233304 12.41368 44.197879 +981 327 2 0.4238 5.3903495999999995 12.41368 44.197879 +982 328 1 -0.8476 6.20684 12.41368 46.72394 +983 328 2 0.4238 7.0233304 12.41368 47.301299 +984 328 2 0.4238 5.3903495999999995 12.41368 47.301299 +985 329 1 -0.8476 6.20684 12.41368 49.82736 +986 329 2 0.4238 7.0233304 12.41368 50.404719 +987 329 2 0.4238 5.3903495999999995 12.41368 50.404719 +988 330 1 -0.8476 6.20684 12.41368 52.93078 +989 330 2 0.4238 7.0233304 12.41368 53.508139 +990 330 2 0.4238 5.3903495999999995 12.41368 53.508139 +991 331 1 -0.8476 6.20684 12.41368 56.0342 +992 331 2 0.4238 7.0233304 12.41368 56.611559 +993 331 2 0.4238 5.3903495999999995 12.41368 56.611559 +994 332 1 -0.8476 6.20684 12.41368 59.13762 +995 332 2 0.4238 7.0233304 12.41368 59.714979 +996 332 2 0.4238 5.3903495999999995 12.41368 59.714979 +997 333 1 -0.8476 6.20684 12.41368 62.24104 +998 333 2 0.4238 7.0233304 12.41368 62.818399 +999 333 2 0.4238 5.3903495999999995 12.41368 62.818399 +1000 334 1 -0.8476 6.20684 12.41368 65.34446 +1001 334 2 0.4238 7.0233304 12.41368 65.921819 +1002 334 2 0.4238 5.3903495999999995 12.41368 65.921819 +1003 335 1 -0.8476 6.20684 12.41368 68.44788 +1004 335 2 0.4238 7.0233304 12.41368 69.025239 +1005 335 2 0.4238 5.3903495999999995 12.41368 69.025239 +1006 336 1 -0.8476 6.20684 12.41368 71.5513 +1007 336 2 0.4238 7.0233304 12.41368 72.128659 +1008 336 2 0.4238 5.3903495999999995 12.41368 72.128659 +1009 337 1 -0.8476 6.20684 15.5171 25.0 +1010 337 2 0.4238 7.0233304 15.5171 25.577359 +1011 337 2 0.4238 5.3903495999999995 15.5171 25.577359 +1012 338 1 -0.8476 6.20684 15.5171 28.10342 +1013 338 2 0.4238 7.0233304 15.5171 28.680779 +1014 338 2 0.4238 5.3903495999999995 15.5171 28.680779 +1015 339 1 -0.8476 6.20684 15.5171 31.20684 +1016 339 2 0.4238 7.0233304 15.5171 31.784199 +1017 339 2 0.4238 5.3903495999999995 15.5171 31.784199 +1018 340 1 -0.8476 6.20684 15.5171 34.31026 +1019 340 2 0.4238 7.0233304 15.5171 34.887619 +1020 340 2 0.4238 5.3903495999999995 15.5171 34.887619 +1021 341 1 -0.8476 6.20684 15.5171 37.41368 +1022 341 2 0.4238 7.0233304 15.5171 37.991039 +1023 341 2 0.4238 5.3903495999999995 15.5171 37.991039 +1024 342 1 -0.8476 6.20684 15.5171 40.5171 +1025 342 2 0.4238 7.0233304 15.5171 41.094459 +1026 342 2 0.4238 5.3903495999999995 15.5171 41.094459 +1027 343 1 -0.8476 6.20684 15.5171 43.62052 +1028 343 2 0.4238 7.0233304 15.5171 44.197879 +1029 343 2 0.4238 5.3903495999999995 15.5171 44.197879 +1030 344 1 -0.8476 6.20684 15.5171 46.72394 +1031 344 2 0.4238 7.0233304 15.5171 47.301299 +1032 344 2 0.4238 5.3903495999999995 15.5171 47.301299 +1033 345 1 -0.8476 6.20684 15.5171 49.82736 +1034 345 2 0.4238 7.0233304 15.5171 50.404719 +1035 345 2 0.4238 5.3903495999999995 15.5171 50.404719 +1036 346 1 -0.8476 6.20684 15.5171 52.93078 +1037 346 2 0.4238 7.0233304 15.5171 53.508139 +1038 346 2 0.4238 5.3903495999999995 15.5171 53.508139 +1039 347 1 -0.8476 6.20684 15.5171 56.0342 +1040 347 2 0.4238 7.0233304 15.5171 56.611559 +1041 347 2 0.4238 5.3903495999999995 15.5171 56.611559 +1042 348 1 -0.8476 6.20684 15.5171 59.13762 +1043 348 2 0.4238 7.0233304 15.5171 59.714979 +1044 348 2 0.4238 5.3903495999999995 15.5171 59.714979 +1045 349 1 -0.8476 6.20684 15.5171 62.24104 +1046 349 2 0.4238 7.0233304 15.5171 62.818399 +1047 349 2 0.4238 5.3903495999999995 15.5171 62.818399 +1048 350 1 -0.8476 6.20684 15.5171 65.34446 +1049 350 2 0.4238 7.0233304 15.5171 65.921819 +1050 350 2 0.4238 5.3903495999999995 15.5171 65.921819 +1051 351 1 -0.8476 6.20684 15.5171 68.44788 +1052 351 2 0.4238 7.0233304 15.5171 69.025239 +1053 351 2 0.4238 5.3903495999999995 15.5171 69.025239 +1054 352 1 -0.8476 6.20684 15.5171 71.5513 +1055 352 2 0.4238 7.0233304 15.5171 72.128659 +1056 352 2 0.4238 5.3903495999999995 15.5171 72.128659 +1057 353 1 -0.8476 6.20684 18.62052 25.0 +1058 353 2 0.4238 7.0233304 18.62052 25.577359 +1059 353 2 0.4238 5.3903495999999995 18.62052 25.577359 +1060 354 1 -0.8476 6.20684 18.62052 28.10342 +1061 354 2 0.4238 7.0233304 18.62052 28.680779 +1062 354 2 0.4238 5.3903495999999995 18.62052 28.680779 +1063 355 1 -0.8476 6.20684 18.62052 31.20684 +1064 355 2 0.4238 7.0233304 18.62052 31.784199 +1065 355 2 0.4238 5.3903495999999995 18.62052 31.784199 +1066 356 1 -0.8476 6.20684 18.62052 34.31026 +1067 356 2 0.4238 7.0233304 18.62052 34.887619 +1068 356 2 0.4238 5.3903495999999995 18.62052 34.887619 +1069 357 1 -0.8476 6.20684 18.62052 37.41368 +1070 357 2 0.4238 7.0233304 18.62052 37.991039 +1071 357 2 0.4238 5.3903495999999995 18.62052 37.991039 +1072 358 1 -0.8476 6.20684 18.62052 40.5171 +1073 358 2 0.4238 7.0233304 18.62052 41.094459 +1074 358 2 0.4238 5.3903495999999995 18.62052 41.094459 +1075 359 1 -0.8476 6.20684 18.62052 43.62052 +1076 359 2 0.4238 7.0233304 18.62052 44.197879 +1077 359 2 0.4238 5.3903495999999995 18.62052 44.197879 +1078 360 1 -0.8476 6.20684 18.62052 46.72394 +1079 360 2 0.4238 7.0233304 18.62052 47.301299 +1080 360 2 0.4238 5.3903495999999995 18.62052 47.301299 +1081 361 1 -0.8476 6.20684 18.62052 49.82736 +1082 361 2 0.4238 7.0233304 18.62052 50.404719 +1083 361 2 0.4238 5.3903495999999995 18.62052 50.404719 +1084 362 1 -0.8476 6.20684 18.62052 52.93078 +1085 362 2 0.4238 7.0233304 18.62052 53.508139 +1086 362 2 0.4238 5.3903495999999995 18.62052 53.508139 +1087 363 1 -0.8476 6.20684 18.62052 56.0342 +1088 363 2 0.4238 7.0233304 18.62052 56.611559 +1089 363 2 0.4238 5.3903495999999995 18.62052 56.611559 +1090 364 1 -0.8476 6.20684 18.62052 59.13762 +1091 364 2 0.4238 7.0233304 18.62052 59.714979 +1092 364 2 0.4238 5.3903495999999995 18.62052 59.714979 +1093 365 1 -0.8476 6.20684 18.62052 62.24104 +1094 365 2 0.4238 7.0233304 18.62052 62.818399 +1095 365 2 0.4238 5.3903495999999995 18.62052 62.818399 +1096 366 1 -0.8476 6.20684 18.62052 65.34446 +1097 366 2 0.4238 7.0233304 18.62052 65.921819 +1098 366 2 0.4238 5.3903495999999995 18.62052 65.921819 +1099 367 1 -0.8476 6.20684 18.62052 68.44788 +1100 367 2 0.4238 7.0233304 18.62052 69.025239 +1101 367 2 0.4238 5.3903495999999995 18.62052 69.025239 +1102 368 1 -0.8476 6.20684 18.62052 71.5513 +1103 368 2 0.4238 7.0233304 18.62052 72.128659 +1104 368 2 0.4238 5.3903495999999995 18.62052 72.128659 +1105 369 1 -0.8476 6.20684 21.72394 25.0 +1106 369 2 0.4238 7.0233304 21.72394 25.577359 +1107 369 2 0.4238 5.3903495999999995 21.72394 25.577359 +1108 370 1 -0.8476 6.20684 21.72394 28.10342 +1109 370 2 0.4238 7.0233304 21.72394 28.680779 +1110 370 2 0.4238 5.3903495999999995 21.72394 28.680779 +1111 371 1 -0.8476 6.20684 21.72394 31.20684 +1112 371 2 0.4238 7.0233304 21.72394 31.784199 +1113 371 2 0.4238 5.3903495999999995 21.72394 31.784199 +1114 372 1 -0.8476 6.20684 21.72394 34.31026 +1115 372 2 0.4238 7.0233304 21.72394 34.887619 +1116 372 2 0.4238 5.3903495999999995 21.72394 34.887619 +1117 373 1 -0.8476 6.20684 21.72394 37.41368 +1118 373 2 0.4238 7.0233304 21.72394 37.991039 +1119 373 2 0.4238 5.3903495999999995 21.72394 37.991039 +1120 374 1 -0.8476 6.20684 21.72394 40.5171 +1121 374 2 0.4238 7.0233304 21.72394 41.094459 +1122 374 2 0.4238 5.3903495999999995 21.72394 41.094459 +1123 375 1 -0.8476 6.20684 21.72394 43.62052 +1124 375 2 0.4238 7.0233304 21.72394 44.197879 +1125 375 2 0.4238 5.3903495999999995 21.72394 44.197879 +1126 376 1 -0.8476 6.20684 21.72394 46.72394 +1127 376 2 0.4238 7.0233304 21.72394 47.301299 +1128 376 2 0.4238 5.3903495999999995 21.72394 47.301299 +1129 377 1 -0.8476 6.20684 21.72394 49.82736 +1130 377 2 0.4238 7.0233304 21.72394 50.404719 +1131 377 2 0.4238 5.3903495999999995 21.72394 50.404719 +1132 378 1 -0.8476 6.20684 21.72394 52.93078 +1133 378 2 0.4238 7.0233304 21.72394 53.508139 +1134 378 2 0.4238 5.3903495999999995 21.72394 53.508139 +1135 379 1 -0.8476 6.20684 21.72394 56.0342 +1136 379 2 0.4238 7.0233304 21.72394 56.611559 +1137 379 2 0.4238 5.3903495999999995 21.72394 56.611559 +1138 380 1 -0.8476 6.20684 21.72394 59.13762 +1139 380 2 0.4238 7.0233304 21.72394 59.714979 +1140 380 2 0.4238 5.3903495999999995 21.72394 59.714979 +1141 381 1 -0.8476 6.20684 21.72394 62.24104 +1142 381 2 0.4238 7.0233304 21.72394 62.818399 +1143 381 2 0.4238 5.3903495999999995 21.72394 62.818399 +1144 382 1 -0.8476 6.20684 21.72394 65.34446 +1145 382 2 0.4238 7.0233304 21.72394 65.921819 +1146 382 2 0.4238 5.3903495999999995 21.72394 65.921819 +1147 383 1 -0.8476 6.20684 21.72394 68.44788 +1148 383 2 0.4238 7.0233304 21.72394 69.025239 +1149 383 2 0.4238 5.3903495999999995 21.72394 69.025239 +1150 384 1 -0.8476 6.20684 21.72394 71.5513 +1151 384 2 0.4238 7.0233304 21.72394 72.128659 +1152 384 2 0.4238 5.3903495999999995 21.72394 72.128659 +1153 385 1 -0.8476 9.31026 0.0 25.0 +1154 385 2 0.4238 10.126750399999999 0.0 25.577359 +1155 385 2 0.4238 8.4937696 0.0 25.577359 +1156 386 1 -0.8476 9.31026 0.0 28.10342 +1157 386 2 0.4238 10.126750399999999 0.0 28.680779 +1158 386 2 0.4238 8.4937696 0.0 28.680779 +1159 387 1 -0.8476 9.31026 0.0 31.20684 +1160 387 2 0.4238 10.126750399999999 0.0 31.784199 +1161 387 2 0.4238 8.4937696 0.0 31.784199 +1162 388 1 -0.8476 9.31026 0.0 34.31026 +1163 388 2 0.4238 10.126750399999999 0.0 34.887619 +1164 388 2 0.4238 8.4937696 0.0 34.887619 +1165 389 1 -0.8476 9.31026 0.0 37.41368 +1166 389 2 0.4238 10.126750399999999 0.0 37.991039 +1167 389 2 0.4238 8.4937696 0.0 37.991039 +1168 390 1 -0.8476 9.31026 0.0 40.5171 +1169 390 2 0.4238 10.126750399999999 0.0 41.094459 +1170 390 2 0.4238 8.4937696 0.0 41.094459 +1171 391 1 -0.8476 9.31026 0.0 43.62052 +1172 391 2 0.4238 10.126750399999999 0.0 44.197879 +1173 391 2 0.4238 8.4937696 0.0 44.197879 +1174 392 1 -0.8476 9.31026 0.0 46.72394 +1175 392 2 0.4238 10.126750399999999 0.0 47.301299 +1176 392 2 0.4238 8.4937696 0.0 47.301299 +1177 393 1 -0.8476 9.31026 0.0 49.82736 +1178 393 2 0.4238 10.126750399999999 0.0 50.404719 +1179 393 2 0.4238 8.4937696 0.0 50.404719 +1180 394 1 -0.8476 9.31026 0.0 52.93078 +1181 394 2 0.4238 10.126750399999999 0.0 53.508139 +1182 394 2 0.4238 8.4937696 0.0 53.508139 +1183 395 1 -0.8476 9.31026 0.0 56.0342 +1184 395 2 0.4238 10.126750399999999 0.0 56.611559 +1185 395 2 0.4238 8.4937696 0.0 56.611559 +1186 396 1 -0.8476 9.31026 0.0 59.13762 +1187 396 2 0.4238 10.126750399999999 0.0 59.714979 +1188 396 2 0.4238 8.4937696 0.0 59.714979 +1189 397 1 -0.8476 9.31026 0.0 62.24104 +1190 397 2 0.4238 10.126750399999999 0.0 62.818399 +1191 397 2 0.4238 8.4937696 0.0 62.818399 +1192 398 1 -0.8476 9.31026 0.0 65.34446 +1193 398 2 0.4238 10.126750399999999 0.0 65.921819 +1194 398 2 0.4238 8.4937696 0.0 65.921819 +1195 399 1 -0.8476 9.31026 0.0 68.44788 +1196 399 2 0.4238 10.126750399999999 0.0 69.025239 +1197 399 2 0.4238 8.4937696 0.0 69.025239 +1198 400 1 -0.8476 9.31026 0.0 71.5513 +1199 400 2 0.4238 10.126750399999999 0.0 72.128659 +1200 400 2 0.4238 8.4937696 0.0 72.128659 +1201 401 1 -0.8476 9.31026 3.10342 25.0 +1202 401 2 0.4238 10.126750399999999 3.10342 25.577359 +1203 401 2 0.4238 8.4937696 3.10342 25.577359 +1204 402 1 -0.8476 9.31026 3.10342 28.10342 +1205 402 2 0.4238 10.126750399999999 3.10342 28.680779 +1206 402 2 0.4238 8.4937696 3.10342 28.680779 +1207 403 1 -0.8476 9.31026 3.10342 31.20684 +1208 403 2 0.4238 10.126750399999999 3.10342 31.784199 +1209 403 2 0.4238 8.4937696 3.10342 31.784199 +1210 404 1 -0.8476 9.31026 3.10342 34.31026 +1211 404 2 0.4238 10.126750399999999 3.10342 34.887619 +1212 404 2 0.4238 8.4937696 3.10342 34.887619 +1213 405 1 -0.8476 9.31026 3.10342 37.41368 +1214 405 2 0.4238 10.126750399999999 3.10342 37.991039 +1215 405 2 0.4238 8.4937696 3.10342 37.991039 +1216 406 1 -0.8476 9.31026 3.10342 40.5171 +1217 406 2 0.4238 10.126750399999999 3.10342 41.094459 +1218 406 2 0.4238 8.4937696 3.10342 41.094459 +1219 407 1 -0.8476 9.31026 3.10342 43.62052 +1220 407 2 0.4238 10.126750399999999 3.10342 44.197879 +1221 407 2 0.4238 8.4937696 3.10342 44.197879 +1222 408 1 -0.8476 9.31026 3.10342 46.72394 +1223 408 2 0.4238 10.126750399999999 3.10342 47.301299 +1224 408 2 0.4238 8.4937696 3.10342 47.301299 +1225 409 1 -0.8476 9.31026 3.10342 49.82736 +1226 409 2 0.4238 10.126750399999999 3.10342 50.404719 +1227 409 2 0.4238 8.4937696 3.10342 50.404719 +1228 410 1 -0.8476 9.31026 3.10342 52.93078 +1229 410 2 0.4238 10.126750399999999 3.10342 53.508139 +1230 410 2 0.4238 8.4937696 3.10342 53.508139 +1231 411 1 -0.8476 9.31026 3.10342 56.0342 +1232 411 2 0.4238 10.126750399999999 3.10342 56.611559 +1233 411 2 0.4238 8.4937696 3.10342 56.611559 +1234 412 1 -0.8476 9.31026 3.10342 59.13762 +1235 412 2 0.4238 10.126750399999999 3.10342 59.714979 +1236 412 2 0.4238 8.4937696 3.10342 59.714979 +1237 413 1 -0.8476 9.31026 3.10342 62.24104 +1238 413 2 0.4238 10.126750399999999 3.10342 62.818399 +1239 413 2 0.4238 8.4937696 3.10342 62.818399 +1240 414 1 -0.8476 9.31026 3.10342 65.34446 +1241 414 2 0.4238 10.126750399999999 3.10342 65.921819 +1242 414 2 0.4238 8.4937696 3.10342 65.921819 +1243 415 1 -0.8476 9.31026 3.10342 68.44788 +1244 415 2 0.4238 10.126750399999999 3.10342 69.025239 +1245 415 2 0.4238 8.4937696 3.10342 69.025239 +1246 416 1 -0.8476 9.31026 3.10342 71.5513 +1247 416 2 0.4238 10.126750399999999 3.10342 72.128659 +1248 416 2 0.4238 8.4937696 3.10342 72.128659 +1249 417 1 -0.8476 9.31026 6.20684 25.0 +1250 417 2 0.4238 10.126750399999999 6.20684 25.577359 +1251 417 2 0.4238 8.4937696 6.20684 25.577359 +1252 418 1 -0.8476 9.31026 6.20684 28.10342 +1253 418 2 0.4238 10.126750399999999 6.20684 28.680779 +1254 418 2 0.4238 8.4937696 6.20684 28.680779 +1255 419 1 -0.8476 9.31026 6.20684 31.20684 +1256 419 2 0.4238 10.126750399999999 6.20684 31.784199 +1257 419 2 0.4238 8.4937696 6.20684 31.784199 +1258 420 1 -0.8476 9.31026 6.20684 34.31026 +1259 420 2 0.4238 10.126750399999999 6.20684 34.887619 +1260 420 2 0.4238 8.4937696 6.20684 34.887619 +1261 421 1 -0.8476 9.31026 6.20684 37.41368 +1262 421 2 0.4238 10.126750399999999 6.20684 37.991039 +1263 421 2 0.4238 8.4937696 6.20684 37.991039 +1264 422 1 -0.8476 9.31026 6.20684 40.5171 +1265 422 2 0.4238 10.126750399999999 6.20684 41.094459 +1266 422 2 0.4238 8.4937696 6.20684 41.094459 +1267 423 1 -0.8476 9.31026 6.20684 43.62052 +1268 423 2 0.4238 10.126750399999999 6.20684 44.197879 +1269 423 2 0.4238 8.4937696 6.20684 44.197879 +1270 424 1 -0.8476 9.31026 6.20684 46.72394 +1271 424 2 0.4238 10.126750399999999 6.20684 47.301299 +1272 424 2 0.4238 8.4937696 6.20684 47.301299 +1273 425 1 -0.8476 9.31026 6.20684 49.82736 +1274 425 2 0.4238 10.126750399999999 6.20684 50.404719 +1275 425 2 0.4238 8.4937696 6.20684 50.404719 +1276 426 1 -0.8476 9.31026 6.20684 52.93078 +1277 426 2 0.4238 10.126750399999999 6.20684 53.508139 +1278 426 2 0.4238 8.4937696 6.20684 53.508139 +1279 427 1 -0.8476 9.31026 6.20684 56.0342 +1280 427 2 0.4238 10.126750399999999 6.20684 56.611559 +1281 427 2 0.4238 8.4937696 6.20684 56.611559 +1282 428 1 -0.8476 9.31026 6.20684 59.13762 +1283 428 2 0.4238 10.126750399999999 6.20684 59.714979 +1284 428 2 0.4238 8.4937696 6.20684 59.714979 +1285 429 1 -0.8476 9.31026 6.20684 62.24104 +1286 429 2 0.4238 10.126750399999999 6.20684 62.818399 +1287 429 2 0.4238 8.4937696 6.20684 62.818399 +1288 430 1 -0.8476 9.31026 6.20684 65.34446 +1289 430 2 0.4238 10.126750399999999 6.20684 65.921819 +1290 430 2 0.4238 8.4937696 6.20684 65.921819 +1291 431 1 -0.8476 9.31026 6.20684 68.44788 +1292 431 2 0.4238 10.126750399999999 6.20684 69.025239 +1293 431 2 0.4238 8.4937696 6.20684 69.025239 +1294 432 1 -0.8476 9.31026 6.20684 71.5513 +1295 432 2 0.4238 10.126750399999999 6.20684 72.128659 +1296 432 2 0.4238 8.4937696 6.20684 72.128659 +1297 433 1 -0.8476 9.31026 9.31026 25.0 +1298 433 2 0.4238 10.126750399999999 9.31026 25.577359 +1299 433 2 0.4238 8.4937696 9.31026 25.577359 +1300 434 1 -0.8476 9.31026 9.31026 28.10342 +1301 434 2 0.4238 10.126750399999999 9.31026 28.680779 +1302 434 2 0.4238 8.4937696 9.31026 28.680779 +1303 435 1 -0.8476 9.31026 9.31026 31.20684 +1304 435 2 0.4238 10.126750399999999 9.31026 31.784199 +1305 435 2 0.4238 8.4937696 9.31026 31.784199 +1306 436 1 -0.8476 9.31026 9.31026 34.31026 +1307 436 2 0.4238 10.126750399999999 9.31026 34.887619 +1308 436 2 0.4238 8.4937696 9.31026 34.887619 +1309 437 1 -0.8476 9.31026 9.31026 37.41368 +1310 437 2 0.4238 10.126750399999999 9.31026 37.991039 +1311 437 2 0.4238 8.4937696 9.31026 37.991039 +1312 438 1 -0.8476 9.31026 9.31026 40.5171 +1313 438 2 0.4238 10.126750399999999 9.31026 41.094459 +1314 438 2 0.4238 8.4937696 9.31026 41.094459 +1315 439 1 -0.8476 9.31026 9.31026 43.62052 +1316 439 2 0.4238 10.126750399999999 9.31026 44.197879 +1317 439 2 0.4238 8.4937696 9.31026 44.197879 +1318 440 1 -0.8476 9.31026 9.31026 46.72394 +1319 440 2 0.4238 10.126750399999999 9.31026 47.301299 +1320 440 2 0.4238 8.4937696 9.31026 47.301299 +1321 441 1 -0.8476 9.31026 9.31026 49.82736 +1322 441 2 0.4238 10.126750399999999 9.31026 50.404719 +1323 441 2 0.4238 8.4937696 9.31026 50.404719 +1324 442 1 -0.8476 9.31026 9.31026 52.93078 +1325 442 2 0.4238 10.126750399999999 9.31026 53.508139 +1326 442 2 0.4238 8.4937696 9.31026 53.508139 +1327 443 1 -0.8476 9.31026 9.31026 56.0342 +1328 443 2 0.4238 10.126750399999999 9.31026 56.611559 +1329 443 2 0.4238 8.4937696 9.31026 56.611559 +1330 444 1 -0.8476 9.31026 9.31026 59.13762 +1331 444 2 0.4238 10.126750399999999 9.31026 59.714979 +1332 444 2 0.4238 8.4937696 9.31026 59.714979 +1333 445 1 -0.8476 9.31026 9.31026 62.24104 +1334 445 2 0.4238 10.126750399999999 9.31026 62.818399 +1335 445 2 0.4238 8.4937696 9.31026 62.818399 +1336 446 1 -0.8476 9.31026 9.31026 65.34446 +1337 446 2 0.4238 10.126750399999999 9.31026 65.921819 +1338 446 2 0.4238 8.4937696 9.31026 65.921819 +1339 447 1 -0.8476 9.31026 9.31026 68.44788 +1340 447 2 0.4238 10.126750399999999 9.31026 69.025239 +1341 447 2 0.4238 8.4937696 9.31026 69.025239 +1342 448 1 -0.8476 9.31026 9.31026 71.5513 +1343 448 2 0.4238 10.126750399999999 9.31026 72.128659 +1344 448 2 0.4238 8.4937696 9.31026 72.128659 +1345 449 1 -0.8476 9.31026 12.41368 25.0 +1346 449 2 0.4238 10.126750399999999 12.41368 25.577359 +1347 449 2 0.4238 8.4937696 12.41368 25.577359 +1348 450 1 -0.8476 9.31026 12.41368 28.10342 +1349 450 2 0.4238 10.126750399999999 12.41368 28.680779 +1350 450 2 0.4238 8.4937696 12.41368 28.680779 +1351 451 1 -0.8476 9.31026 12.41368 31.20684 +1352 451 2 0.4238 10.126750399999999 12.41368 31.784199 +1353 451 2 0.4238 8.4937696 12.41368 31.784199 +1354 452 1 -0.8476 9.31026 12.41368 34.31026 +1355 452 2 0.4238 10.126750399999999 12.41368 34.887619 +1356 452 2 0.4238 8.4937696 12.41368 34.887619 +1357 453 1 -0.8476 9.31026 12.41368 37.41368 +1358 453 2 0.4238 10.126750399999999 12.41368 37.991039 +1359 453 2 0.4238 8.4937696 12.41368 37.991039 +1360 454 1 -0.8476 9.31026 12.41368 40.5171 +1361 454 2 0.4238 10.126750399999999 12.41368 41.094459 +1362 454 2 0.4238 8.4937696 12.41368 41.094459 +1363 455 1 -0.8476 9.31026 12.41368 43.62052 +1364 455 2 0.4238 10.126750399999999 12.41368 44.197879 +1365 455 2 0.4238 8.4937696 12.41368 44.197879 +1366 456 1 -0.8476 9.31026 12.41368 46.72394 +1367 456 2 0.4238 10.126750399999999 12.41368 47.301299 +1368 456 2 0.4238 8.4937696 12.41368 47.301299 +1369 457 1 -0.8476 9.31026 12.41368 49.82736 +1370 457 2 0.4238 10.126750399999999 12.41368 50.404719 +1371 457 2 0.4238 8.4937696 12.41368 50.404719 +1372 458 1 -0.8476 9.31026 12.41368 52.93078 +1373 458 2 0.4238 10.126750399999999 12.41368 53.508139 +1374 458 2 0.4238 8.4937696 12.41368 53.508139 +1375 459 1 -0.8476 9.31026 12.41368 56.0342 +1376 459 2 0.4238 10.126750399999999 12.41368 56.611559 +1377 459 2 0.4238 8.4937696 12.41368 56.611559 +1378 460 1 -0.8476 9.31026 12.41368 59.13762 +1379 460 2 0.4238 10.126750399999999 12.41368 59.714979 +1380 460 2 0.4238 8.4937696 12.41368 59.714979 +1381 461 1 -0.8476 9.31026 12.41368 62.24104 +1382 461 2 0.4238 10.126750399999999 12.41368 62.818399 +1383 461 2 0.4238 8.4937696 12.41368 62.818399 +1384 462 1 -0.8476 9.31026 12.41368 65.34446 +1385 462 2 0.4238 10.126750399999999 12.41368 65.921819 +1386 462 2 0.4238 8.4937696 12.41368 65.921819 +1387 463 1 -0.8476 9.31026 12.41368 68.44788 +1388 463 2 0.4238 10.126750399999999 12.41368 69.025239 +1389 463 2 0.4238 8.4937696 12.41368 69.025239 +1390 464 1 -0.8476 9.31026 12.41368 71.5513 +1391 464 2 0.4238 10.126750399999999 12.41368 72.128659 +1392 464 2 0.4238 8.4937696 12.41368 72.128659 +1393 465 1 -0.8476 9.31026 15.5171 25.0 +1394 465 2 0.4238 10.126750399999999 15.5171 25.577359 +1395 465 2 0.4238 8.4937696 15.5171 25.577359 +1396 466 1 -0.8476 9.31026 15.5171 28.10342 +1397 466 2 0.4238 10.126750399999999 15.5171 28.680779 +1398 466 2 0.4238 8.4937696 15.5171 28.680779 +1399 467 1 -0.8476 9.31026 15.5171 31.20684 +1400 467 2 0.4238 10.126750399999999 15.5171 31.784199 +1401 467 2 0.4238 8.4937696 15.5171 31.784199 +1402 468 1 -0.8476 9.31026 15.5171 34.31026 +1403 468 2 0.4238 10.126750399999999 15.5171 34.887619 +1404 468 2 0.4238 8.4937696 15.5171 34.887619 +1405 469 1 -0.8476 9.31026 15.5171 37.41368 +1406 469 2 0.4238 10.126750399999999 15.5171 37.991039 +1407 469 2 0.4238 8.4937696 15.5171 37.991039 +1408 470 1 -0.8476 9.31026 15.5171 40.5171 +1409 470 2 0.4238 10.126750399999999 15.5171 41.094459 +1410 470 2 0.4238 8.4937696 15.5171 41.094459 +1411 471 1 -0.8476 9.31026 15.5171 43.62052 +1412 471 2 0.4238 10.126750399999999 15.5171 44.197879 +1413 471 2 0.4238 8.4937696 15.5171 44.197879 +1414 472 1 -0.8476 9.31026 15.5171 46.72394 +1415 472 2 0.4238 10.126750399999999 15.5171 47.301299 +1416 472 2 0.4238 8.4937696 15.5171 47.301299 +1417 473 1 -0.8476 9.31026 15.5171 49.82736 +1418 473 2 0.4238 10.126750399999999 15.5171 50.404719 +1419 473 2 0.4238 8.4937696 15.5171 50.404719 +1420 474 1 -0.8476 9.31026 15.5171 52.93078 +1421 474 2 0.4238 10.126750399999999 15.5171 53.508139 +1422 474 2 0.4238 8.4937696 15.5171 53.508139 +1423 475 1 -0.8476 9.31026 15.5171 56.0342 +1424 475 2 0.4238 10.126750399999999 15.5171 56.611559 +1425 475 2 0.4238 8.4937696 15.5171 56.611559 +1426 476 1 -0.8476 9.31026 15.5171 59.13762 +1427 476 2 0.4238 10.126750399999999 15.5171 59.714979 +1428 476 2 0.4238 8.4937696 15.5171 59.714979 +1429 477 1 -0.8476 9.31026 15.5171 62.24104 +1430 477 2 0.4238 10.126750399999999 15.5171 62.818399 +1431 477 2 0.4238 8.4937696 15.5171 62.818399 +1432 478 1 -0.8476 9.31026 15.5171 65.34446 +1433 478 2 0.4238 10.126750399999999 15.5171 65.921819 +1434 478 2 0.4238 8.4937696 15.5171 65.921819 +1435 479 1 -0.8476 9.31026 15.5171 68.44788 +1436 479 2 0.4238 10.126750399999999 15.5171 69.025239 +1437 479 2 0.4238 8.4937696 15.5171 69.025239 +1438 480 1 -0.8476 9.31026 15.5171 71.5513 +1439 480 2 0.4238 10.126750399999999 15.5171 72.128659 +1440 480 2 0.4238 8.4937696 15.5171 72.128659 +1441 481 1 -0.8476 9.31026 18.62052 25.0 +1442 481 2 0.4238 10.126750399999999 18.62052 25.577359 +1443 481 2 0.4238 8.4937696 18.62052 25.577359 +1444 482 1 -0.8476 9.31026 18.62052 28.10342 +1445 482 2 0.4238 10.126750399999999 18.62052 28.680779 +1446 482 2 0.4238 8.4937696 18.62052 28.680779 +1447 483 1 -0.8476 9.31026 18.62052 31.20684 +1448 483 2 0.4238 10.126750399999999 18.62052 31.784199 +1449 483 2 0.4238 8.4937696 18.62052 31.784199 +1450 484 1 -0.8476 9.31026 18.62052 34.31026 +1451 484 2 0.4238 10.126750399999999 18.62052 34.887619 +1452 484 2 0.4238 8.4937696 18.62052 34.887619 +1453 485 1 -0.8476 9.31026 18.62052 37.41368 +1454 485 2 0.4238 10.126750399999999 18.62052 37.991039 +1455 485 2 0.4238 8.4937696 18.62052 37.991039 +1456 486 1 -0.8476 9.31026 18.62052 40.5171 +1457 486 2 0.4238 10.126750399999999 18.62052 41.094459 +1458 486 2 0.4238 8.4937696 18.62052 41.094459 +1459 487 1 -0.8476 9.31026 18.62052 43.62052 +1460 487 2 0.4238 10.126750399999999 18.62052 44.197879 +1461 487 2 0.4238 8.4937696 18.62052 44.197879 +1462 488 1 -0.8476 9.31026 18.62052 46.72394 +1463 488 2 0.4238 10.126750399999999 18.62052 47.301299 +1464 488 2 0.4238 8.4937696 18.62052 47.301299 +1465 489 1 -0.8476 9.31026 18.62052 49.82736 +1466 489 2 0.4238 10.126750399999999 18.62052 50.404719 +1467 489 2 0.4238 8.4937696 18.62052 50.404719 +1468 490 1 -0.8476 9.31026 18.62052 52.93078 +1469 490 2 0.4238 10.126750399999999 18.62052 53.508139 +1470 490 2 0.4238 8.4937696 18.62052 53.508139 +1471 491 1 -0.8476 9.31026 18.62052 56.0342 +1472 491 2 0.4238 10.126750399999999 18.62052 56.611559 +1473 491 2 0.4238 8.4937696 18.62052 56.611559 +1474 492 1 -0.8476 9.31026 18.62052 59.13762 +1475 492 2 0.4238 10.126750399999999 18.62052 59.714979 +1476 492 2 0.4238 8.4937696 18.62052 59.714979 +1477 493 1 -0.8476 9.31026 18.62052 62.24104 +1478 493 2 0.4238 10.126750399999999 18.62052 62.818399 +1479 493 2 0.4238 8.4937696 18.62052 62.818399 +1480 494 1 -0.8476 9.31026 18.62052 65.34446 +1481 494 2 0.4238 10.126750399999999 18.62052 65.921819 +1482 494 2 0.4238 8.4937696 18.62052 65.921819 +1483 495 1 -0.8476 9.31026 18.62052 68.44788 +1484 495 2 0.4238 10.126750399999999 18.62052 69.025239 +1485 495 2 0.4238 8.4937696 18.62052 69.025239 +1486 496 1 -0.8476 9.31026 18.62052 71.5513 +1487 496 2 0.4238 10.126750399999999 18.62052 72.128659 +1488 496 2 0.4238 8.4937696 18.62052 72.128659 +1489 497 1 -0.8476 9.31026 21.72394 25.0 +1490 497 2 0.4238 10.126750399999999 21.72394 25.577359 +1491 497 2 0.4238 8.4937696 21.72394 25.577359 +1492 498 1 -0.8476 9.31026 21.72394 28.10342 +1493 498 2 0.4238 10.126750399999999 21.72394 28.680779 +1494 498 2 0.4238 8.4937696 21.72394 28.680779 +1495 499 1 -0.8476 9.31026 21.72394 31.20684 +1496 499 2 0.4238 10.126750399999999 21.72394 31.784199 +1497 499 2 0.4238 8.4937696 21.72394 31.784199 +1498 500 1 -0.8476 9.31026 21.72394 34.31026 +1499 500 2 0.4238 10.126750399999999 21.72394 34.887619 +1500 500 2 0.4238 8.4937696 21.72394 34.887619 +1501 501 1 -0.8476 9.31026 21.72394 37.41368 +1502 501 2 0.4238 10.126750399999999 21.72394 37.991039 +1503 501 2 0.4238 8.4937696 21.72394 37.991039 +1504 502 1 -0.8476 9.31026 21.72394 40.5171 +1505 502 2 0.4238 10.126750399999999 21.72394 41.094459 +1506 502 2 0.4238 8.4937696 21.72394 41.094459 +1507 503 1 -0.8476 9.31026 21.72394 43.62052 +1508 503 2 0.4238 10.126750399999999 21.72394 44.197879 +1509 503 2 0.4238 8.4937696 21.72394 44.197879 +1510 504 1 -0.8476 9.31026 21.72394 46.72394 +1511 504 2 0.4238 10.126750399999999 21.72394 47.301299 +1512 504 2 0.4238 8.4937696 21.72394 47.301299 +1513 505 1 -0.8476 9.31026 21.72394 49.82736 +1514 505 2 0.4238 10.126750399999999 21.72394 50.404719 +1515 505 2 0.4238 8.4937696 21.72394 50.404719 +1516 506 1 -0.8476 9.31026 21.72394 52.93078 +1517 506 2 0.4238 10.126750399999999 21.72394 53.508139 +1518 506 2 0.4238 8.4937696 21.72394 53.508139 +1519 507 1 -0.8476 9.31026 21.72394 56.0342 +1520 507 2 0.4238 10.126750399999999 21.72394 56.611559 +1521 507 2 0.4238 8.4937696 21.72394 56.611559 +1522 508 1 -0.8476 9.31026 21.72394 59.13762 +1523 508 2 0.4238 10.126750399999999 21.72394 59.714979 +1524 508 2 0.4238 8.4937696 21.72394 59.714979 +1525 509 1 -0.8476 9.31026 21.72394 62.24104 +1526 509 2 0.4238 10.126750399999999 21.72394 62.818399 +1527 509 2 0.4238 8.4937696 21.72394 62.818399 +1528 510 1 -0.8476 9.31026 21.72394 65.34446 +1529 510 2 0.4238 10.126750399999999 21.72394 65.921819 +1530 510 2 0.4238 8.4937696 21.72394 65.921819 +1531 511 1 -0.8476 9.31026 21.72394 68.44788 +1532 511 2 0.4238 10.126750399999999 21.72394 69.025239 +1533 511 2 0.4238 8.4937696 21.72394 69.025239 +1534 512 1 -0.8476 9.31026 21.72394 71.5513 +1535 512 2 0.4238 10.126750399999999 21.72394 72.128659 +1536 512 2 0.4238 8.4937696 21.72394 72.128659 +1537 513 1 -0.8476 12.41368 0.0 25.0 +1538 513 2 0.4238 13.230170399999999 0.0 25.577359 +1539 513 2 0.4238 11.5971896 0.0 25.577359 +1540 514 1 -0.8476 12.41368 0.0 28.10342 +1541 514 2 0.4238 13.230170399999999 0.0 28.680779 +1542 514 2 0.4238 11.5971896 0.0 28.680779 +1543 515 1 -0.8476 12.41368 0.0 31.20684 +1544 515 2 0.4238 13.230170399999999 0.0 31.784199 +1545 515 2 0.4238 11.5971896 0.0 31.784199 +1546 516 1 -0.8476 12.41368 0.0 34.31026 +1547 516 2 0.4238 13.230170399999999 0.0 34.887619 +1548 516 2 0.4238 11.5971896 0.0 34.887619 +1549 517 1 -0.8476 12.41368 0.0 37.41368 +1550 517 2 0.4238 13.230170399999999 0.0 37.991039 +1551 517 2 0.4238 11.5971896 0.0 37.991039 +1552 518 1 -0.8476 12.41368 0.0 40.5171 +1553 518 2 0.4238 13.230170399999999 0.0 41.094459 +1554 518 2 0.4238 11.5971896 0.0 41.094459 +1555 519 1 -0.8476 12.41368 0.0 43.62052 +1556 519 2 0.4238 13.230170399999999 0.0 44.197879 +1557 519 2 0.4238 11.5971896 0.0 44.197879 +1558 520 1 -0.8476 12.41368 0.0 46.72394 +1559 520 2 0.4238 13.230170399999999 0.0 47.301299 +1560 520 2 0.4238 11.5971896 0.0 47.301299 +1561 521 1 -0.8476 12.41368 0.0 49.82736 +1562 521 2 0.4238 13.230170399999999 0.0 50.404719 +1563 521 2 0.4238 11.5971896 0.0 50.404719 +1564 522 1 -0.8476 12.41368 0.0 52.93078 +1565 522 2 0.4238 13.230170399999999 0.0 53.508139 +1566 522 2 0.4238 11.5971896 0.0 53.508139 +1567 523 1 -0.8476 12.41368 0.0 56.0342 +1568 523 2 0.4238 13.230170399999999 0.0 56.611559 +1569 523 2 0.4238 11.5971896 0.0 56.611559 +1570 524 1 -0.8476 12.41368 0.0 59.13762 +1571 524 2 0.4238 13.230170399999999 0.0 59.714979 +1572 524 2 0.4238 11.5971896 0.0 59.714979 +1573 525 1 -0.8476 12.41368 0.0 62.24104 +1574 525 2 0.4238 13.230170399999999 0.0 62.818399 +1575 525 2 0.4238 11.5971896 0.0 62.818399 +1576 526 1 -0.8476 12.41368 0.0 65.34446 +1577 526 2 0.4238 13.230170399999999 0.0 65.921819 +1578 526 2 0.4238 11.5971896 0.0 65.921819 +1579 527 1 -0.8476 12.41368 0.0 68.44788 +1580 527 2 0.4238 13.230170399999999 0.0 69.025239 +1581 527 2 0.4238 11.5971896 0.0 69.025239 +1582 528 1 -0.8476 12.41368 0.0 71.5513 +1583 528 2 0.4238 13.230170399999999 0.0 72.128659 +1584 528 2 0.4238 11.5971896 0.0 72.128659 +1585 529 1 -0.8476 12.41368 3.10342 25.0 +1586 529 2 0.4238 13.230170399999999 3.10342 25.577359 +1587 529 2 0.4238 11.5971896 3.10342 25.577359 +1588 530 1 -0.8476 12.41368 3.10342 28.10342 +1589 530 2 0.4238 13.230170399999999 3.10342 28.680779 +1590 530 2 0.4238 11.5971896 3.10342 28.680779 +1591 531 1 -0.8476 12.41368 3.10342 31.20684 +1592 531 2 0.4238 13.230170399999999 3.10342 31.784199 +1593 531 2 0.4238 11.5971896 3.10342 31.784199 +1594 532 1 -0.8476 12.41368 3.10342 34.31026 +1595 532 2 0.4238 13.230170399999999 3.10342 34.887619 +1596 532 2 0.4238 11.5971896 3.10342 34.887619 +1597 533 1 -0.8476 12.41368 3.10342 37.41368 +1598 533 2 0.4238 13.230170399999999 3.10342 37.991039 +1599 533 2 0.4238 11.5971896 3.10342 37.991039 +1600 534 1 -0.8476 12.41368 3.10342 40.5171 +1601 534 2 0.4238 13.230170399999999 3.10342 41.094459 +1602 534 2 0.4238 11.5971896 3.10342 41.094459 +1603 535 1 -0.8476 12.41368 3.10342 43.62052 +1604 535 2 0.4238 13.230170399999999 3.10342 44.197879 +1605 535 2 0.4238 11.5971896 3.10342 44.197879 +1606 536 1 -0.8476 12.41368 3.10342 46.72394 +1607 536 2 0.4238 13.230170399999999 3.10342 47.301299 +1608 536 2 0.4238 11.5971896 3.10342 47.301299 +1609 537 1 -0.8476 12.41368 3.10342 49.82736 +1610 537 2 0.4238 13.230170399999999 3.10342 50.404719 +1611 537 2 0.4238 11.5971896 3.10342 50.404719 +1612 538 1 -0.8476 12.41368 3.10342 52.93078 +1613 538 2 0.4238 13.230170399999999 3.10342 53.508139 +1614 538 2 0.4238 11.5971896 3.10342 53.508139 +1615 539 1 -0.8476 12.41368 3.10342 56.0342 +1616 539 2 0.4238 13.230170399999999 3.10342 56.611559 +1617 539 2 0.4238 11.5971896 3.10342 56.611559 +1618 540 1 -0.8476 12.41368 3.10342 59.13762 +1619 540 2 0.4238 13.230170399999999 3.10342 59.714979 +1620 540 2 0.4238 11.5971896 3.10342 59.714979 +1621 541 1 -0.8476 12.41368 3.10342 62.24104 +1622 541 2 0.4238 13.230170399999999 3.10342 62.818399 +1623 541 2 0.4238 11.5971896 3.10342 62.818399 +1624 542 1 -0.8476 12.41368 3.10342 65.34446 +1625 542 2 0.4238 13.230170399999999 3.10342 65.921819 +1626 542 2 0.4238 11.5971896 3.10342 65.921819 +1627 543 1 -0.8476 12.41368 3.10342 68.44788 +1628 543 2 0.4238 13.230170399999999 3.10342 69.025239 +1629 543 2 0.4238 11.5971896 3.10342 69.025239 +1630 544 1 -0.8476 12.41368 3.10342 71.5513 +1631 544 2 0.4238 13.230170399999999 3.10342 72.128659 +1632 544 2 0.4238 11.5971896 3.10342 72.128659 +1633 545 1 -0.8476 12.41368 6.20684 25.0 +1634 545 2 0.4238 13.230170399999999 6.20684 25.577359 +1635 545 2 0.4238 11.5971896 6.20684 25.577359 +1636 546 1 -0.8476 12.41368 6.20684 28.10342 +1637 546 2 0.4238 13.230170399999999 6.20684 28.680779 +1638 546 2 0.4238 11.5971896 6.20684 28.680779 +1639 547 1 -0.8476 12.41368 6.20684 31.20684 +1640 547 2 0.4238 13.230170399999999 6.20684 31.784199 +1641 547 2 0.4238 11.5971896 6.20684 31.784199 +1642 548 1 -0.8476 12.41368 6.20684 34.31026 +1643 548 2 0.4238 13.230170399999999 6.20684 34.887619 +1644 548 2 0.4238 11.5971896 6.20684 34.887619 +1645 549 1 -0.8476 12.41368 6.20684 37.41368 +1646 549 2 0.4238 13.230170399999999 6.20684 37.991039 +1647 549 2 0.4238 11.5971896 6.20684 37.991039 +1648 550 1 -0.8476 12.41368 6.20684 40.5171 +1649 550 2 0.4238 13.230170399999999 6.20684 41.094459 +1650 550 2 0.4238 11.5971896 6.20684 41.094459 +1651 551 1 -0.8476 12.41368 6.20684 43.62052 +1652 551 2 0.4238 13.230170399999999 6.20684 44.197879 +1653 551 2 0.4238 11.5971896 6.20684 44.197879 +1654 552 1 -0.8476 12.41368 6.20684 46.72394 +1655 552 2 0.4238 13.230170399999999 6.20684 47.301299 +1656 552 2 0.4238 11.5971896 6.20684 47.301299 +1657 553 1 -0.8476 12.41368 6.20684 49.82736 +1658 553 2 0.4238 13.230170399999999 6.20684 50.404719 +1659 553 2 0.4238 11.5971896 6.20684 50.404719 +1660 554 1 -0.8476 12.41368 6.20684 52.93078 +1661 554 2 0.4238 13.230170399999999 6.20684 53.508139 +1662 554 2 0.4238 11.5971896 6.20684 53.508139 +1663 555 1 -0.8476 12.41368 6.20684 56.0342 +1664 555 2 0.4238 13.230170399999999 6.20684 56.611559 +1665 555 2 0.4238 11.5971896 6.20684 56.611559 +1666 556 1 -0.8476 12.41368 6.20684 59.13762 +1667 556 2 0.4238 13.230170399999999 6.20684 59.714979 +1668 556 2 0.4238 11.5971896 6.20684 59.714979 +1669 557 1 -0.8476 12.41368 6.20684 62.24104 +1670 557 2 0.4238 13.230170399999999 6.20684 62.818399 +1671 557 2 0.4238 11.5971896 6.20684 62.818399 +1672 558 1 -0.8476 12.41368 6.20684 65.34446 +1673 558 2 0.4238 13.230170399999999 6.20684 65.921819 +1674 558 2 0.4238 11.5971896 6.20684 65.921819 +1675 559 1 -0.8476 12.41368 6.20684 68.44788 +1676 559 2 0.4238 13.230170399999999 6.20684 69.025239 +1677 559 2 0.4238 11.5971896 6.20684 69.025239 +1678 560 1 -0.8476 12.41368 6.20684 71.5513 +1679 560 2 0.4238 13.230170399999999 6.20684 72.128659 +1680 560 2 0.4238 11.5971896 6.20684 72.128659 +1681 561 1 -0.8476 12.41368 9.31026 25.0 +1682 561 2 0.4238 13.230170399999999 9.31026 25.577359 +1683 561 2 0.4238 11.5971896 9.31026 25.577359 +1684 562 1 -0.8476 12.41368 9.31026 28.10342 +1685 562 2 0.4238 13.230170399999999 9.31026 28.680779 +1686 562 2 0.4238 11.5971896 9.31026 28.680779 +1687 563 1 -0.8476 12.41368 9.31026 31.20684 +1688 563 2 0.4238 13.230170399999999 9.31026 31.784199 +1689 563 2 0.4238 11.5971896 9.31026 31.784199 +1690 564 1 -0.8476 12.41368 9.31026 34.31026 +1691 564 2 0.4238 13.230170399999999 9.31026 34.887619 +1692 564 2 0.4238 11.5971896 9.31026 34.887619 +1693 565 1 -0.8476 12.41368 9.31026 37.41368 +1694 565 2 0.4238 13.230170399999999 9.31026 37.991039 +1695 565 2 0.4238 11.5971896 9.31026 37.991039 +1696 566 1 -0.8476 12.41368 9.31026 40.5171 +1697 566 2 0.4238 13.230170399999999 9.31026 41.094459 +1698 566 2 0.4238 11.5971896 9.31026 41.094459 +1699 567 1 -0.8476 12.41368 9.31026 43.62052 +1700 567 2 0.4238 13.230170399999999 9.31026 44.197879 +1701 567 2 0.4238 11.5971896 9.31026 44.197879 +1702 568 1 -0.8476 12.41368 9.31026 46.72394 +1703 568 2 0.4238 13.230170399999999 9.31026 47.301299 +1704 568 2 0.4238 11.5971896 9.31026 47.301299 +1705 569 1 -0.8476 12.41368 9.31026 49.82736 +1706 569 2 0.4238 13.230170399999999 9.31026 50.404719 +1707 569 2 0.4238 11.5971896 9.31026 50.404719 +1708 570 1 -0.8476 12.41368 9.31026 52.93078 +1709 570 2 0.4238 13.230170399999999 9.31026 53.508139 +1710 570 2 0.4238 11.5971896 9.31026 53.508139 +1711 571 1 -0.8476 12.41368 9.31026 56.0342 +1712 571 2 0.4238 13.230170399999999 9.31026 56.611559 +1713 571 2 0.4238 11.5971896 9.31026 56.611559 +1714 572 1 -0.8476 12.41368 9.31026 59.13762 +1715 572 2 0.4238 13.230170399999999 9.31026 59.714979 +1716 572 2 0.4238 11.5971896 9.31026 59.714979 +1717 573 1 -0.8476 12.41368 9.31026 62.24104 +1718 573 2 0.4238 13.230170399999999 9.31026 62.818399 +1719 573 2 0.4238 11.5971896 9.31026 62.818399 +1720 574 1 -0.8476 12.41368 9.31026 65.34446 +1721 574 2 0.4238 13.230170399999999 9.31026 65.921819 +1722 574 2 0.4238 11.5971896 9.31026 65.921819 +1723 575 1 -0.8476 12.41368 9.31026 68.44788 +1724 575 2 0.4238 13.230170399999999 9.31026 69.025239 +1725 575 2 0.4238 11.5971896 9.31026 69.025239 +1726 576 1 -0.8476 12.41368 9.31026 71.5513 +1727 576 2 0.4238 13.230170399999999 9.31026 72.128659 +1728 576 2 0.4238 11.5971896 9.31026 72.128659 +1729 577 1 -0.8476 12.41368 12.41368 25.0 +1730 577 2 0.4238 13.230170399999999 12.41368 25.577359 +1731 577 2 0.4238 11.5971896 12.41368 25.577359 +1732 578 1 -0.8476 12.41368 12.41368 28.10342 +1733 578 2 0.4238 13.230170399999999 12.41368 28.680779 +1734 578 2 0.4238 11.5971896 12.41368 28.680779 +1735 579 1 -0.8476 12.41368 12.41368 31.20684 +1736 579 2 0.4238 13.230170399999999 12.41368 31.784199 +1737 579 2 0.4238 11.5971896 12.41368 31.784199 +1738 580 1 -0.8476 12.41368 12.41368 34.31026 +1739 580 2 0.4238 13.230170399999999 12.41368 34.887619 +1740 580 2 0.4238 11.5971896 12.41368 34.887619 +1741 581 1 -0.8476 12.41368 12.41368 37.41368 +1742 581 2 0.4238 13.230170399999999 12.41368 37.991039 +1743 581 2 0.4238 11.5971896 12.41368 37.991039 +1744 582 1 -0.8476 12.41368 12.41368 40.5171 +1745 582 2 0.4238 13.230170399999999 12.41368 41.094459 +1746 582 2 0.4238 11.5971896 12.41368 41.094459 +1747 583 1 -0.8476 12.41368 12.41368 43.62052 +1748 583 2 0.4238 13.230170399999999 12.41368 44.197879 +1749 583 2 0.4238 11.5971896 12.41368 44.197879 +1750 584 1 -0.8476 12.41368 12.41368 46.72394 +1751 584 2 0.4238 13.230170399999999 12.41368 47.301299 +1752 584 2 0.4238 11.5971896 12.41368 47.301299 +1753 585 1 -0.8476 12.41368 12.41368 49.82736 +1754 585 2 0.4238 13.230170399999999 12.41368 50.404719 +1755 585 2 0.4238 11.5971896 12.41368 50.404719 +1756 586 1 -0.8476 12.41368 12.41368 52.93078 +1757 586 2 0.4238 13.230170399999999 12.41368 53.508139 +1758 586 2 0.4238 11.5971896 12.41368 53.508139 +1759 587 1 -0.8476 12.41368 12.41368 56.0342 +1760 587 2 0.4238 13.230170399999999 12.41368 56.611559 +1761 587 2 0.4238 11.5971896 12.41368 56.611559 +1762 588 1 -0.8476 12.41368 12.41368 59.13762 +1763 588 2 0.4238 13.230170399999999 12.41368 59.714979 +1764 588 2 0.4238 11.5971896 12.41368 59.714979 +1765 589 1 -0.8476 12.41368 12.41368 62.24104 +1766 589 2 0.4238 13.230170399999999 12.41368 62.818399 +1767 589 2 0.4238 11.5971896 12.41368 62.818399 +1768 590 1 -0.8476 12.41368 12.41368 65.34446 +1769 590 2 0.4238 13.230170399999999 12.41368 65.921819 +1770 590 2 0.4238 11.5971896 12.41368 65.921819 +1771 591 1 -0.8476 12.41368 12.41368 68.44788 +1772 591 2 0.4238 13.230170399999999 12.41368 69.025239 +1773 591 2 0.4238 11.5971896 12.41368 69.025239 +1774 592 1 -0.8476 12.41368 12.41368 71.5513 +1775 592 2 0.4238 13.230170399999999 12.41368 72.128659 +1776 592 2 0.4238 11.5971896 12.41368 72.128659 +1777 593 1 -0.8476 12.41368 15.5171 25.0 +1778 593 2 0.4238 13.230170399999999 15.5171 25.577359 +1779 593 2 0.4238 11.5971896 15.5171 25.577359 +1780 594 1 -0.8476 12.41368 15.5171 28.10342 +1781 594 2 0.4238 13.230170399999999 15.5171 28.680779 +1782 594 2 0.4238 11.5971896 15.5171 28.680779 +1783 595 1 -0.8476 12.41368 15.5171 31.20684 +1784 595 2 0.4238 13.230170399999999 15.5171 31.784199 +1785 595 2 0.4238 11.5971896 15.5171 31.784199 +1786 596 1 -0.8476 12.41368 15.5171 34.31026 +1787 596 2 0.4238 13.230170399999999 15.5171 34.887619 +1788 596 2 0.4238 11.5971896 15.5171 34.887619 +1789 597 1 -0.8476 12.41368 15.5171 37.41368 +1790 597 2 0.4238 13.230170399999999 15.5171 37.991039 +1791 597 2 0.4238 11.5971896 15.5171 37.991039 +1792 598 1 -0.8476 12.41368 15.5171 40.5171 +1793 598 2 0.4238 13.230170399999999 15.5171 41.094459 +1794 598 2 0.4238 11.5971896 15.5171 41.094459 +1795 599 1 -0.8476 12.41368 15.5171 43.62052 +1796 599 2 0.4238 13.230170399999999 15.5171 44.197879 +1797 599 2 0.4238 11.5971896 15.5171 44.197879 +1798 600 1 -0.8476 12.41368 15.5171 46.72394 +1799 600 2 0.4238 13.230170399999999 15.5171 47.301299 +1800 600 2 0.4238 11.5971896 15.5171 47.301299 +1801 601 1 -0.8476 12.41368 15.5171 49.82736 +1802 601 2 0.4238 13.230170399999999 15.5171 50.404719 +1803 601 2 0.4238 11.5971896 15.5171 50.404719 +1804 602 1 -0.8476 12.41368 15.5171 52.93078 +1805 602 2 0.4238 13.230170399999999 15.5171 53.508139 +1806 602 2 0.4238 11.5971896 15.5171 53.508139 +1807 603 1 -0.8476 12.41368 15.5171 56.0342 +1808 603 2 0.4238 13.230170399999999 15.5171 56.611559 +1809 603 2 0.4238 11.5971896 15.5171 56.611559 +1810 604 1 -0.8476 12.41368 15.5171 59.13762 +1811 604 2 0.4238 13.230170399999999 15.5171 59.714979 +1812 604 2 0.4238 11.5971896 15.5171 59.714979 +1813 605 1 -0.8476 12.41368 15.5171 62.24104 +1814 605 2 0.4238 13.230170399999999 15.5171 62.818399 +1815 605 2 0.4238 11.5971896 15.5171 62.818399 +1816 606 1 -0.8476 12.41368 15.5171 65.34446 +1817 606 2 0.4238 13.230170399999999 15.5171 65.921819 +1818 606 2 0.4238 11.5971896 15.5171 65.921819 +1819 607 1 -0.8476 12.41368 15.5171 68.44788 +1820 607 2 0.4238 13.230170399999999 15.5171 69.025239 +1821 607 2 0.4238 11.5971896 15.5171 69.025239 +1822 608 1 -0.8476 12.41368 15.5171 71.5513 +1823 608 2 0.4238 13.230170399999999 15.5171 72.128659 +1824 608 2 0.4238 11.5971896 15.5171 72.128659 +1825 609 1 -0.8476 12.41368 18.62052 25.0 +1826 609 2 0.4238 13.230170399999999 18.62052 25.577359 +1827 609 2 0.4238 11.5971896 18.62052 25.577359 +1828 610 1 -0.8476 12.41368 18.62052 28.10342 +1829 610 2 0.4238 13.230170399999999 18.62052 28.680779 +1830 610 2 0.4238 11.5971896 18.62052 28.680779 +1831 611 1 -0.8476 12.41368 18.62052 31.20684 +1832 611 2 0.4238 13.230170399999999 18.62052 31.784199 +1833 611 2 0.4238 11.5971896 18.62052 31.784199 +1834 612 1 -0.8476 12.41368 18.62052 34.31026 +1835 612 2 0.4238 13.230170399999999 18.62052 34.887619 +1836 612 2 0.4238 11.5971896 18.62052 34.887619 +1837 613 1 -0.8476 12.41368 18.62052 37.41368 +1838 613 2 0.4238 13.230170399999999 18.62052 37.991039 +1839 613 2 0.4238 11.5971896 18.62052 37.991039 +1840 614 1 -0.8476 12.41368 18.62052 40.5171 +1841 614 2 0.4238 13.230170399999999 18.62052 41.094459 +1842 614 2 0.4238 11.5971896 18.62052 41.094459 +1843 615 1 -0.8476 12.41368 18.62052 43.62052 +1844 615 2 0.4238 13.230170399999999 18.62052 44.197879 +1845 615 2 0.4238 11.5971896 18.62052 44.197879 +1846 616 1 -0.8476 12.41368 18.62052 46.72394 +1847 616 2 0.4238 13.230170399999999 18.62052 47.301299 +1848 616 2 0.4238 11.5971896 18.62052 47.301299 +1849 617 1 -0.8476 12.41368 18.62052 49.82736 +1850 617 2 0.4238 13.230170399999999 18.62052 50.404719 +1851 617 2 0.4238 11.5971896 18.62052 50.404719 +1852 618 1 -0.8476 12.41368 18.62052 52.93078 +1853 618 2 0.4238 13.230170399999999 18.62052 53.508139 +1854 618 2 0.4238 11.5971896 18.62052 53.508139 +1855 619 1 -0.8476 12.41368 18.62052 56.0342 +1856 619 2 0.4238 13.230170399999999 18.62052 56.611559 +1857 619 2 0.4238 11.5971896 18.62052 56.611559 +1858 620 1 -0.8476 12.41368 18.62052 59.13762 +1859 620 2 0.4238 13.230170399999999 18.62052 59.714979 +1860 620 2 0.4238 11.5971896 18.62052 59.714979 +1861 621 1 -0.8476 12.41368 18.62052 62.24104 +1862 621 2 0.4238 13.230170399999999 18.62052 62.818399 +1863 621 2 0.4238 11.5971896 18.62052 62.818399 +1864 622 1 -0.8476 12.41368 18.62052 65.34446 +1865 622 2 0.4238 13.230170399999999 18.62052 65.921819 +1866 622 2 0.4238 11.5971896 18.62052 65.921819 +1867 623 1 -0.8476 12.41368 18.62052 68.44788 +1868 623 2 0.4238 13.230170399999999 18.62052 69.025239 +1869 623 2 0.4238 11.5971896 18.62052 69.025239 +1870 624 1 -0.8476 12.41368 18.62052 71.5513 +1871 624 2 0.4238 13.230170399999999 18.62052 72.128659 +1872 624 2 0.4238 11.5971896 18.62052 72.128659 +1873 625 1 -0.8476 12.41368 21.72394 25.0 +1874 625 2 0.4238 13.230170399999999 21.72394 25.577359 +1875 625 2 0.4238 11.5971896 21.72394 25.577359 +1876 626 1 -0.8476 12.41368 21.72394 28.10342 +1877 626 2 0.4238 13.230170399999999 21.72394 28.680779 +1878 626 2 0.4238 11.5971896 21.72394 28.680779 +1879 627 1 -0.8476 12.41368 21.72394 31.20684 +1880 627 2 0.4238 13.230170399999999 21.72394 31.784199 +1881 627 2 0.4238 11.5971896 21.72394 31.784199 +1882 628 1 -0.8476 12.41368 21.72394 34.31026 +1883 628 2 0.4238 13.230170399999999 21.72394 34.887619 +1884 628 2 0.4238 11.5971896 21.72394 34.887619 +1885 629 1 -0.8476 12.41368 21.72394 37.41368 +1886 629 2 0.4238 13.230170399999999 21.72394 37.991039 +1887 629 2 0.4238 11.5971896 21.72394 37.991039 +1888 630 1 -0.8476 12.41368 21.72394 40.5171 +1889 630 2 0.4238 13.230170399999999 21.72394 41.094459 +1890 630 2 0.4238 11.5971896 21.72394 41.094459 +1891 631 1 -0.8476 12.41368 21.72394 43.62052 +1892 631 2 0.4238 13.230170399999999 21.72394 44.197879 +1893 631 2 0.4238 11.5971896 21.72394 44.197879 +1894 632 1 -0.8476 12.41368 21.72394 46.72394 +1895 632 2 0.4238 13.230170399999999 21.72394 47.301299 +1896 632 2 0.4238 11.5971896 21.72394 47.301299 +1897 633 1 -0.8476 12.41368 21.72394 49.82736 +1898 633 2 0.4238 13.230170399999999 21.72394 50.404719 +1899 633 2 0.4238 11.5971896 21.72394 50.404719 +1900 634 1 -0.8476 12.41368 21.72394 52.93078 +1901 634 2 0.4238 13.230170399999999 21.72394 53.508139 +1902 634 2 0.4238 11.5971896 21.72394 53.508139 +1903 635 1 -0.8476 12.41368 21.72394 56.0342 +1904 635 2 0.4238 13.230170399999999 21.72394 56.611559 +1905 635 2 0.4238 11.5971896 21.72394 56.611559 +1906 636 1 -0.8476 12.41368 21.72394 59.13762 +1907 636 2 0.4238 13.230170399999999 21.72394 59.714979 +1908 636 2 0.4238 11.5971896 21.72394 59.714979 +1909 637 1 -0.8476 12.41368 21.72394 62.24104 +1910 637 2 0.4238 13.230170399999999 21.72394 62.818399 +1911 637 2 0.4238 11.5971896 21.72394 62.818399 +1912 638 1 -0.8476 12.41368 21.72394 65.34446 +1913 638 2 0.4238 13.230170399999999 21.72394 65.921819 +1914 638 2 0.4238 11.5971896 21.72394 65.921819 +1915 639 1 -0.8476 12.41368 21.72394 68.44788 +1916 639 2 0.4238 13.230170399999999 21.72394 69.025239 +1917 639 2 0.4238 11.5971896 21.72394 69.025239 +1918 640 1 -0.8476 12.41368 21.72394 71.5513 +1919 640 2 0.4238 13.230170399999999 21.72394 72.128659 +1920 640 2 0.4238 11.5971896 21.72394 72.128659 +1921 641 1 -0.8476 15.5171 0.0 25.0 +1922 641 2 0.4238 16.3335904 0.0 25.577359 +1923 641 2 0.4238 14.7006096 0.0 25.577359 +1924 642 1 -0.8476 15.5171 0.0 28.10342 +1925 642 2 0.4238 16.3335904 0.0 28.680779 +1926 642 2 0.4238 14.7006096 0.0 28.680779 +1927 643 1 -0.8476 15.5171 0.0 31.20684 +1928 643 2 0.4238 16.3335904 0.0 31.784199 +1929 643 2 0.4238 14.7006096 0.0 31.784199 +1930 644 1 -0.8476 15.5171 0.0 34.31026 +1931 644 2 0.4238 16.3335904 0.0 34.887619 +1932 644 2 0.4238 14.7006096 0.0 34.887619 +1933 645 1 -0.8476 15.5171 0.0 37.41368 +1934 645 2 0.4238 16.3335904 0.0 37.991039 +1935 645 2 0.4238 14.7006096 0.0 37.991039 +1936 646 1 -0.8476 15.5171 0.0 40.5171 +1937 646 2 0.4238 16.3335904 0.0 41.094459 +1938 646 2 0.4238 14.7006096 0.0 41.094459 +1939 647 1 -0.8476 15.5171 0.0 43.62052 +1940 647 2 0.4238 16.3335904 0.0 44.197879 +1941 647 2 0.4238 14.7006096 0.0 44.197879 +1942 648 1 -0.8476 15.5171 0.0 46.72394 +1943 648 2 0.4238 16.3335904 0.0 47.301299 +1944 648 2 0.4238 14.7006096 0.0 47.301299 +1945 649 1 -0.8476 15.5171 0.0 49.82736 +1946 649 2 0.4238 16.3335904 0.0 50.404719 +1947 649 2 0.4238 14.7006096 0.0 50.404719 +1948 650 1 -0.8476 15.5171 0.0 52.93078 +1949 650 2 0.4238 16.3335904 0.0 53.508139 +1950 650 2 0.4238 14.7006096 0.0 53.508139 +1951 651 1 -0.8476 15.5171 0.0 56.0342 +1952 651 2 0.4238 16.3335904 0.0 56.611559 +1953 651 2 0.4238 14.7006096 0.0 56.611559 +1954 652 1 -0.8476 15.5171 0.0 59.13762 +1955 652 2 0.4238 16.3335904 0.0 59.714979 +1956 652 2 0.4238 14.7006096 0.0 59.714979 +1957 653 1 -0.8476 15.5171 0.0 62.24104 +1958 653 2 0.4238 16.3335904 0.0 62.818399 +1959 653 2 0.4238 14.7006096 0.0 62.818399 +1960 654 1 -0.8476 15.5171 0.0 65.34446 +1961 654 2 0.4238 16.3335904 0.0 65.921819 +1962 654 2 0.4238 14.7006096 0.0 65.921819 +1963 655 1 -0.8476 15.5171 0.0 68.44788 +1964 655 2 0.4238 16.3335904 0.0 69.025239 +1965 655 2 0.4238 14.7006096 0.0 69.025239 +1966 656 1 -0.8476 15.5171 0.0 71.5513 +1967 656 2 0.4238 16.3335904 0.0 72.128659 +1968 656 2 0.4238 14.7006096 0.0 72.128659 +1969 657 1 -0.8476 15.5171 3.10342 25.0 +1970 657 2 0.4238 16.3335904 3.10342 25.577359 +1971 657 2 0.4238 14.7006096 3.10342 25.577359 +1972 658 1 -0.8476 15.5171 3.10342 28.10342 +1973 658 2 0.4238 16.3335904 3.10342 28.680779 +1974 658 2 0.4238 14.7006096 3.10342 28.680779 +1975 659 1 -0.8476 15.5171 3.10342 31.20684 +1976 659 2 0.4238 16.3335904 3.10342 31.784199 +1977 659 2 0.4238 14.7006096 3.10342 31.784199 +1978 660 1 -0.8476 15.5171 3.10342 34.31026 +1979 660 2 0.4238 16.3335904 3.10342 34.887619 +1980 660 2 0.4238 14.7006096 3.10342 34.887619 +1981 661 1 -0.8476 15.5171 3.10342 37.41368 +1982 661 2 0.4238 16.3335904 3.10342 37.991039 +1983 661 2 0.4238 14.7006096 3.10342 37.991039 +1984 662 1 -0.8476 15.5171 3.10342 40.5171 +1985 662 2 0.4238 16.3335904 3.10342 41.094459 +1986 662 2 0.4238 14.7006096 3.10342 41.094459 +1987 663 1 -0.8476 15.5171 3.10342 43.62052 +1988 663 2 0.4238 16.3335904 3.10342 44.197879 +1989 663 2 0.4238 14.7006096 3.10342 44.197879 +1990 664 1 -0.8476 15.5171 3.10342 46.72394 +1991 664 2 0.4238 16.3335904 3.10342 47.301299 +1992 664 2 0.4238 14.7006096 3.10342 47.301299 +1993 665 1 -0.8476 15.5171 3.10342 49.82736 +1994 665 2 0.4238 16.3335904 3.10342 50.404719 +1995 665 2 0.4238 14.7006096 3.10342 50.404719 +1996 666 1 -0.8476 15.5171 3.10342 52.93078 +1997 666 2 0.4238 16.3335904 3.10342 53.508139 +1998 666 2 0.4238 14.7006096 3.10342 53.508139 +1999 667 1 -0.8476 15.5171 3.10342 56.0342 +2000 667 2 0.4238 16.3335904 3.10342 56.611559 +2001 667 2 0.4238 14.7006096 3.10342 56.611559 +2002 668 1 -0.8476 15.5171 3.10342 59.13762 +2003 668 2 0.4238 16.3335904 3.10342 59.714979 +2004 668 2 0.4238 14.7006096 3.10342 59.714979 +2005 669 1 -0.8476 15.5171 3.10342 62.24104 +2006 669 2 0.4238 16.3335904 3.10342 62.818399 +2007 669 2 0.4238 14.7006096 3.10342 62.818399 +2008 670 1 -0.8476 15.5171 3.10342 65.34446 +2009 670 2 0.4238 16.3335904 3.10342 65.921819 +2010 670 2 0.4238 14.7006096 3.10342 65.921819 +2011 671 1 -0.8476 15.5171 3.10342 68.44788 +2012 671 2 0.4238 16.3335904 3.10342 69.025239 +2013 671 2 0.4238 14.7006096 3.10342 69.025239 +2014 672 1 -0.8476 15.5171 3.10342 71.5513 +2015 672 2 0.4238 16.3335904 3.10342 72.128659 +2016 672 2 0.4238 14.7006096 3.10342 72.128659 +2017 673 1 -0.8476 15.5171 6.20684 25.0 +2018 673 2 0.4238 16.3335904 6.20684 25.577359 +2019 673 2 0.4238 14.7006096 6.20684 25.577359 +2020 674 1 -0.8476 15.5171 6.20684 28.10342 +2021 674 2 0.4238 16.3335904 6.20684 28.680779 +2022 674 2 0.4238 14.7006096 6.20684 28.680779 +2023 675 1 -0.8476 15.5171 6.20684 31.20684 +2024 675 2 0.4238 16.3335904 6.20684 31.784199 +2025 675 2 0.4238 14.7006096 6.20684 31.784199 +2026 676 1 -0.8476 15.5171 6.20684 34.31026 +2027 676 2 0.4238 16.3335904 6.20684 34.887619 +2028 676 2 0.4238 14.7006096 6.20684 34.887619 +2029 677 1 -0.8476 15.5171 6.20684 37.41368 +2030 677 2 0.4238 16.3335904 6.20684 37.991039 +2031 677 2 0.4238 14.7006096 6.20684 37.991039 +2032 678 1 -0.8476 15.5171 6.20684 40.5171 +2033 678 2 0.4238 16.3335904 6.20684 41.094459 +2034 678 2 0.4238 14.7006096 6.20684 41.094459 +2035 679 1 -0.8476 15.5171 6.20684 43.62052 +2036 679 2 0.4238 16.3335904 6.20684 44.197879 +2037 679 2 0.4238 14.7006096 6.20684 44.197879 +2038 680 1 -0.8476 15.5171 6.20684 46.72394 +2039 680 2 0.4238 16.3335904 6.20684 47.301299 +2040 680 2 0.4238 14.7006096 6.20684 47.301299 +2041 681 1 -0.8476 15.5171 6.20684 49.82736 +2042 681 2 0.4238 16.3335904 6.20684 50.404719 +2043 681 2 0.4238 14.7006096 6.20684 50.404719 +2044 682 1 -0.8476 15.5171 6.20684 52.93078 +2045 682 2 0.4238 16.3335904 6.20684 53.508139 +2046 682 2 0.4238 14.7006096 6.20684 53.508139 +2047 683 1 -0.8476 15.5171 6.20684 56.0342 +2048 683 2 0.4238 16.3335904 6.20684 56.611559 +2049 683 2 0.4238 14.7006096 6.20684 56.611559 +2050 684 1 -0.8476 15.5171 6.20684 59.13762 +2051 684 2 0.4238 16.3335904 6.20684 59.714979 +2052 684 2 0.4238 14.7006096 6.20684 59.714979 +2053 685 1 -0.8476 15.5171 6.20684 62.24104 +2054 685 2 0.4238 16.3335904 6.20684 62.818399 +2055 685 2 0.4238 14.7006096 6.20684 62.818399 +2056 686 1 -0.8476 15.5171 6.20684 65.34446 +2057 686 2 0.4238 16.3335904 6.20684 65.921819 +2058 686 2 0.4238 14.7006096 6.20684 65.921819 +2059 687 1 -0.8476 15.5171 6.20684 68.44788 +2060 687 2 0.4238 16.3335904 6.20684 69.025239 +2061 687 2 0.4238 14.7006096 6.20684 69.025239 +2062 688 1 -0.8476 15.5171 6.20684 71.5513 +2063 688 2 0.4238 16.3335904 6.20684 72.128659 +2064 688 2 0.4238 14.7006096 6.20684 72.128659 +2065 689 1 -0.8476 15.5171 9.31026 25.0 +2066 689 2 0.4238 16.3335904 9.31026 25.577359 +2067 689 2 0.4238 14.7006096 9.31026 25.577359 +2068 690 1 -0.8476 15.5171 9.31026 28.10342 +2069 690 2 0.4238 16.3335904 9.31026 28.680779 +2070 690 2 0.4238 14.7006096 9.31026 28.680779 +2071 691 1 -0.8476 15.5171 9.31026 31.20684 +2072 691 2 0.4238 16.3335904 9.31026 31.784199 +2073 691 2 0.4238 14.7006096 9.31026 31.784199 +2074 692 1 -0.8476 15.5171 9.31026 34.31026 +2075 692 2 0.4238 16.3335904 9.31026 34.887619 +2076 692 2 0.4238 14.7006096 9.31026 34.887619 +2077 693 1 -0.8476 15.5171 9.31026 37.41368 +2078 693 2 0.4238 16.3335904 9.31026 37.991039 +2079 693 2 0.4238 14.7006096 9.31026 37.991039 +2080 694 1 -0.8476 15.5171 9.31026 40.5171 +2081 694 2 0.4238 16.3335904 9.31026 41.094459 +2082 694 2 0.4238 14.7006096 9.31026 41.094459 +2083 695 1 -0.8476 15.5171 9.31026 43.62052 +2084 695 2 0.4238 16.3335904 9.31026 44.197879 +2085 695 2 0.4238 14.7006096 9.31026 44.197879 +2086 696 1 -0.8476 15.5171 9.31026 46.72394 +2087 696 2 0.4238 16.3335904 9.31026 47.301299 +2088 696 2 0.4238 14.7006096 9.31026 47.301299 +2089 697 1 -0.8476 15.5171 9.31026 49.82736 +2090 697 2 0.4238 16.3335904 9.31026 50.404719 +2091 697 2 0.4238 14.7006096 9.31026 50.404719 +2092 698 1 -0.8476 15.5171 9.31026 52.93078 +2093 698 2 0.4238 16.3335904 9.31026 53.508139 +2094 698 2 0.4238 14.7006096 9.31026 53.508139 +2095 699 1 -0.8476 15.5171 9.31026 56.0342 +2096 699 2 0.4238 16.3335904 9.31026 56.611559 +2097 699 2 0.4238 14.7006096 9.31026 56.611559 +2098 700 1 -0.8476 15.5171 9.31026 59.13762 +2099 700 2 0.4238 16.3335904 9.31026 59.714979 +2100 700 2 0.4238 14.7006096 9.31026 59.714979 +2101 701 1 -0.8476 15.5171 9.31026 62.24104 +2102 701 2 0.4238 16.3335904 9.31026 62.818399 +2103 701 2 0.4238 14.7006096 9.31026 62.818399 +2104 702 1 -0.8476 15.5171 9.31026 65.34446 +2105 702 2 0.4238 16.3335904 9.31026 65.921819 +2106 702 2 0.4238 14.7006096 9.31026 65.921819 +2107 703 1 -0.8476 15.5171 9.31026 68.44788 +2108 703 2 0.4238 16.3335904 9.31026 69.025239 +2109 703 2 0.4238 14.7006096 9.31026 69.025239 +2110 704 1 -0.8476 15.5171 9.31026 71.5513 +2111 704 2 0.4238 16.3335904 9.31026 72.128659 +2112 704 2 0.4238 14.7006096 9.31026 72.128659 +2113 705 1 -0.8476 15.5171 12.41368 25.0 +2114 705 2 0.4238 16.3335904 12.41368 25.577359 +2115 705 2 0.4238 14.7006096 12.41368 25.577359 +2116 706 1 -0.8476 15.5171 12.41368 28.10342 +2117 706 2 0.4238 16.3335904 12.41368 28.680779 +2118 706 2 0.4238 14.7006096 12.41368 28.680779 +2119 707 1 -0.8476 15.5171 12.41368 31.20684 +2120 707 2 0.4238 16.3335904 12.41368 31.784199 +2121 707 2 0.4238 14.7006096 12.41368 31.784199 +2122 708 1 -0.8476 15.5171 12.41368 34.31026 +2123 708 2 0.4238 16.3335904 12.41368 34.887619 +2124 708 2 0.4238 14.7006096 12.41368 34.887619 +2125 709 1 -0.8476 15.5171 12.41368 37.41368 +2126 709 2 0.4238 16.3335904 12.41368 37.991039 +2127 709 2 0.4238 14.7006096 12.41368 37.991039 +2128 710 1 -0.8476 15.5171 12.41368 40.5171 +2129 710 2 0.4238 16.3335904 12.41368 41.094459 +2130 710 2 0.4238 14.7006096 12.41368 41.094459 +2131 711 1 -0.8476 15.5171 12.41368 43.62052 +2132 711 2 0.4238 16.3335904 12.41368 44.197879 +2133 711 2 0.4238 14.7006096 12.41368 44.197879 +2134 712 1 -0.8476 15.5171 12.41368 46.72394 +2135 712 2 0.4238 16.3335904 12.41368 47.301299 +2136 712 2 0.4238 14.7006096 12.41368 47.301299 +2137 713 1 -0.8476 15.5171 12.41368 49.82736 +2138 713 2 0.4238 16.3335904 12.41368 50.404719 +2139 713 2 0.4238 14.7006096 12.41368 50.404719 +2140 714 1 -0.8476 15.5171 12.41368 52.93078 +2141 714 2 0.4238 16.3335904 12.41368 53.508139 +2142 714 2 0.4238 14.7006096 12.41368 53.508139 +2143 715 1 -0.8476 15.5171 12.41368 56.0342 +2144 715 2 0.4238 16.3335904 12.41368 56.611559 +2145 715 2 0.4238 14.7006096 12.41368 56.611559 +2146 716 1 -0.8476 15.5171 12.41368 59.13762 +2147 716 2 0.4238 16.3335904 12.41368 59.714979 +2148 716 2 0.4238 14.7006096 12.41368 59.714979 +2149 717 1 -0.8476 15.5171 12.41368 62.24104 +2150 717 2 0.4238 16.3335904 12.41368 62.818399 +2151 717 2 0.4238 14.7006096 12.41368 62.818399 +2152 718 1 -0.8476 15.5171 12.41368 65.34446 +2153 718 2 0.4238 16.3335904 12.41368 65.921819 +2154 718 2 0.4238 14.7006096 12.41368 65.921819 +2155 719 1 -0.8476 15.5171 12.41368 68.44788 +2156 719 2 0.4238 16.3335904 12.41368 69.025239 +2157 719 2 0.4238 14.7006096 12.41368 69.025239 +2158 720 1 -0.8476 15.5171 12.41368 71.5513 +2159 720 2 0.4238 16.3335904 12.41368 72.128659 +2160 720 2 0.4238 14.7006096 12.41368 72.128659 +2161 721 1 -0.8476 15.5171 15.5171 25.0 +2162 721 2 0.4238 16.3335904 15.5171 25.577359 +2163 721 2 0.4238 14.7006096 15.5171 25.577359 +2164 722 1 -0.8476 15.5171 15.5171 28.10342 +2165 722 2 0.4238 16.3335904 15.5171 28.680779 +2166 722 2 0.4238 14.7006096 15.5171 28.680779 +2167 723 1 -0.8476 15.5171 15.5171 31.20684 +2168 723 2 0.4238 16.3335904 15.5171 31.784199 +2169 723 2 0.4238 14.7006096 15.5171 31.784199 +2170 724 1 -0.8476 15.5171 15.5171 34.31026 +2171 724 2 0.4238 16.3335904 15.5171 34.887619 +2172 724 2 0.4238 14.7006096 15.5171 34.887619 +2173 725 1 -0.8476 15.5171 15.5171 37.41368 +2174 725 2 0.4238 16.3335904 15.5171 37.991039 +2175 725 2 0.4238 14.7006096 15.5171 37.991039 +2176 726 1 -0.8476 15.5171 15.5171 40.5171 +2177 726 2 0.4238 16.3335904 15.5171 41.094459 +2178 726 2 0.4238 14.7006096 15.5171 41.094459 +2179 727 1 -0.8476 15.5171 15.5171 43.62052 +2180 727 2 0.4238 16.3335904 15.5171 44.197879 +2181 727 2 0.4238 14.7006096 15.5171 44.197879 +2182 728 1 -0.8476 15.5171 15.5171 46.72394 +2183 728 2 0.4238 16.3335904 15.5171 47.301299 +2184 728 2 0.4238 14.7006096 15.5171 47.301299 +2185 729 1 -0.8476 15.5171 15.5171 49.82736 +2186 729 2 0.4238 16.3335904 15.5171 50.404719 +2187 729 2 0.4238 14.7006096 15.5171 50.404719 +2188 730 1 -0.8476 15.5171 15.5171 52.93078 +2189 730 2 0.4238 16.3335904 15.5171 53.508139 +2190 730 2 0.4238 14.7006096 15.5171 53.508139 +2191 731 1 -0.8476 15.5171 15.5171 56.0342 +2192 731 2 0.4238 16.3335904 15.5171 56.611559 +2193 731 2 0.4238 14.7006096 15.5171 56.611559 +2194 732 1 -0.8476 15.5171 15.5171 59.13762 +2195 732 2 0.4238 16.3335904 15.5171 59.714979 +2196 732 2 0.4238 14.7006096 15.5171 59.714979 +2197 733 1 -0.8476 15.5171 15.5171 62.24104 +2198 733 2 0.4238 16.3335904 15.5171 62.818399 +2199 733 2 0.4238 14.7006096 15.5171 62.818399 +2200 734 1 -0.8476 15.5171 15.5171 65.34446 +2201 734 2 0.4238 16.3335904 15.5171 65.921819 +2202 734 2 0.4238 14.7006096 15.5171 65.921819 +2203 735 1 -0.8476 15.5171 15.5171 68.44788 +2204 735 2 0.4238 16.3335904 15.5171 69.025239 +2205 735 2 0.4238 14.7006096 15.5171 69.025239 +2206 736 1 -0.8476 15.5171 15.5171 71.5513 +2207 736 2 0.4238 16.3335904 15.5171 72.128659 +2208 736 2 0.4238 14.7006096 15.5171 72.128659 +2209 737 1 -0.8476 15.5171 18.62052 25.0 +2210 737 2 0.4238 16.3335904 18.62052 25.577359 +2211 737 2 0.4238 14.7006096 18.62052 25.577359 +2212 738 1 -0.8476 15.5171 18.62052 28.10342 +2213 738 2 0.4238 16.3335904 18.62052 28.680779 +2214 738 2 0.4238 14.7006096 18.62052 28.680779 +2215 739 1 -0.8476 15.5171 18.62052 31.20684 +2216 739 2 0.4238 16.3335904 18.62052 31.784199 +2217 739 2 0.4238 14.7006096 18.62052 31.784199 +2218 740 1 -0.8476 15.5171 18.62052 34.31026 +2219 740 2 0.4238 16.3335904 18.62052 34.887619 +2220 740 2 0.4238 14.7006096 18.62052 34.887619 +2221 741 1 -0.8476 15.5171 18.62052 37.41368 +2222 741 2 0.4238 16.3335904 18.62052 37.991039 +2223 741 2 0.4238 14.7006096 18.62052 37.991039 +2224 742 1 -0.8476 15.5171 18.62052 40.5171 +2225 742 2 0.4238 16.3335904 18.62052 41.094459 +2226 742 2 0.4238 14.7006096 18.62052 41.094459 +2227 743 1 -0.8476 15.5171 18.62052 43.62052 +2228 743 2 0.4238 16.3335904 18.62052 44.197879 +2229 743 2 0.4238 14.7006096 18.62052 44.197879 +2230 744 1 -0.8476 15.5171 18.62052 46.72394 +2231 744 2 0.4238 16.3335904 18.62052 47.301299 +2232 744 2 0.4238 14.7006096 18.62052 47.301299 +2233 745 1 -0.8476 15.5171 18.62052 49.82736 +2234 745 2 0.4238 16.3335904 18.62052 50.404719 +2235 745 2 0.4238 14.7006096 18.62052 50.404719 +2236 746 1 -0.8476 15.5171 18.62052 52.93078 +2237 746 2 0.4238 16.3335904 18.62052 53.508139 +2238 746 2 0.4238 14.7006096 18.62052 53.508139 +2239 747 1 -0.8476 15.5171 18.62052 56.0342 +2240 747 2 0.4238 16.3335904 18.62052 56.611559 +2241 747 2 0.4238 14.7006096 18.62052 56.611559 +2242 748 1 -0.8476 15.5171 18.62052 59.13762 +2243 748 2 0.4238 16.3335904 18.62052 59.714979 +2244 748 2 0.4238 14.7006096 18.62052 59.714979 +2245 749 1 -0.8476 15.5171 18.62052 62.24104 +2246 749 2 0.4238 16.3335904 18.62052 62.818399 +2247 749 2 0.4238 14.7006096 18.62052 62.818399 +2248 750 1 -0.8476 15.5171 18.62052 65.34446 +2249 750 2 0.4238 16.3335904 18.62052 65.921819 +2250 750 2 0.4238 14.7006096 18.62052 65.921819 +2251 751 1 -0.8476 15.5171 18.62052 68.44788 +2252 751 2 0.4238 16.3335904 18.62052 69.025239 +2253 751 2 0.4238 14.7006096 18.62052 69.025239 +2254 752 1 -0.8476 15.5171 18.62052 71.5513 +2255 752 2 0.4238 16.3335904 18.62052 72.128659 +2256 752 2 0.4238 14.7006096 18.62052 72.128659 +2257 753 1 -0.8476 15.5171 21.72394 25.0 +2258 753 2 0.4238 16.3335904 21.72394 25.577359 +2259 753 2 0.4238 14.7006096 21.72394 25.577359 +2260 754 1 -0.8476 15.5171 21.72394 28.10342 +2261 754 2 0.4238 16.3335904 21.72394 28.680779 +2262 754 2 0.4238 14.7006096 21.72394 28.680779 +2263 755 1 -0.8476 15.5171 21.72394 31.20684 +2264 755 2 0.4238 16.3335904 21.72394 31.784199 +2265 755 2 0.4238 14.7006096 21.72394 31.784199 +2266 756 1 -0.8476 15.5171 21.72394 34.31026 +2267 756 2 0.4238 16.3335904 21.72394 34.887619 +2268 756 2 0.4238 14.7006096 21.72394 34.887619 +2269 757 1 -0.8476 15.5171 21.72394 37.41368 +2270 757 2 0.4238 16.3335904 21.72394 37.991039 +2271 757 2 0.4238 14.7006096 21.72394 37.991039 +2272 758 1 -0.8476 15.5171 21.72394 40.5171 +2273 758 2 0.4238 16.3335904 21.72394 41.094459 +2274 758 2 0.4238 14.7006096 21.72394 41.094459 +2275 759 1 -0.8476 15.5171 21.72394 43.62052 +2276 759 2 0.4238 16.3335904 21.72394 44.197879 +2277 759 2 0.4238 14.7006096 21.72394 44.197879 +2278 760 1 -0.8476 15.5171 21.72394 46.72394 +2279 760 2 0.4238 16.3335904 21.72394 47.301299 +2280 760 2 0.4238 14.7006096 21.72394 47.301299 +2281 761 1 -0.8476 15.5171 21.72394 49.82736 +2282 761 2 0.4238 16.3335904 21.72394 50.404719 +2283 761 2 0.4238 14.7006096 21.72394 50.404719 +2284 762 1 -0.8476 15.5171 21.72394 52.93078 +2285 762 2 0.4238 16.3335904 21.72394 53.508139 +2286 762 2 0.4238 14.7006096 21.72394 53.508139 +2287 763 1 -0.8476 15.5171 21.72394 56.0342 +2288 763 2 0.4238 16.3335904 21.72394 56.611559 +2289 763 2 0.4238 14.7006096 21.72394 56.611559 +2290 764 1 -0.8476 15.5171 21.72394 59.13762 +2291 764 2 0.4238 16.3335904 21.72394 59.714979 +2292 764 2 0.4238 14.7006096 21.72394 59.714979 +2293 765 1 -0.8476 15.5171 21.72394 62.24104 +2294 765 2 0.4238 16.3335904 21.72394 62.818399 +2295 765 2 0.4238 14.7006096 21.72394 62.818399 +2296 766 1 -0.8476 15.5171 21.72394 65.34446 +2297 766 2 0.4238 16.3335904 21.72394 65.921819 +2298 766 2 0.4238 14.7006096 21.72394 65.921819 +2299 767 1 -0.8476 15.5171 21.72394 68.44788 +2300 767 2 0.4238 16.3335904 21.72394 69.025239 +2301 767 2 0.4238 14.7006096 21.72394 69.025239 +2302 768 1 -0.8476 15.5171 21.72394 71.5513 +2303 768 2 0.4238 16.3335904 21.72394 72.128659 +2304 768 2 0.4238 14.7006096 21.72394 72.128659 +2305 769 1 -0.8476 18.62052 0.0 25.0 +2306 769 2 0.4238 19.4370104 0.0 25.577359 +2307 769 2 0.4238 17.8040296 0.0 25.577359 +2308 770 1 -0.8476 18.62052 0.0 28.10342 +2309 770 2 0.4238 19.4370104 0.0 28.680779 +2310 770 2 0.4238 17.8040296 0.0 28.680779 +2311 771 1 -0.8476 18.62052 0.0 31.20684 +2312 771 2 0.4238 19.4370104 0.0 31.784199 +2313 771 2 0.4238 17.8040296 0.0 31.784199 +2314 772 1 -0.8476 18.62052 0.0 34.31026 +2315 772 2 0.4238 19.4370104 0.0 34.887619 +2316 772 2 0.4238 17.8040296 0.0 34.887619 +2317 773 1 -0.8476 18.62052 0.0 37.41368 +2318 773 2 0.4238 19.4370104 0.0 37.991039 +2319 773 2 0.4238 17.8040296 0.0 37.991039 +2320 774 1 -0.8476 18.62052 0.0 40.5171 +2321 774 2 0.4238 19.4370104 0.0 41.094459 +2322 774 2 0.4238 17.8040296 0.0 41.094459 +2323 775 1 -0.8476 18.62052 0.0 43.62052 +2324 775 2 0.4238 19.4370104 0.0 44.197879 +2325 775 2 0.4238 17.8040296 0.0 44.197879 +2326 776 1 -0.8476 18.62052 0.0 46.72394 +2327 776 2 0.4238 19.4370104 0.0 47.301299 +2328 776 2 0.4238 17.8040296 0.0 47.301299 +2329 777 1 -0.8476 18.62052 0.0 49.82736 +2330 777 2 0.4238 19.4370104 0.0 50.404719 +2331 777 2 0.4238 17.8040296 0.0 50.404719 +2332 778 1 -0.8476 18.62052 0.0 52.93078 +2333 778 2 0.4238 19.4370104 0.0 53.508139 +2334 778 2 0.4238 17.8040296 0.0 53.508139 +2335 779 1 -0.8476 18.62052 0.0 56.0342 +2336 779 2 0.4238 19.4370104 0.0 56.611559 +2337 779 2 0.4238 17.8040296 0.0 56.611559 +2338 780 1 -0.8476 18.62052 0.0 59.13762 +2339 780 2 0.4238 19.4370104 0.0 59.714979 +2340 780 2 0.4238 17.8040296 0.0 59.714979 +2341 781 1 -0.8476 18.62052 0.0 62.24104 +2342 781 2 0.4238 19.4370104 0.0 62.818399 +2343 781 2 0.4238 17.8040296 0.0 62.818399 +2344 782 1 -0.8476 18.62052 0.0 65.34446 +2345 782 2 0.4238 19.4370104 0.0 65.921819 +2346 782 2 0.4238 17.8040296 0.0 65.921819 +2347 783 1 -0.8476 18.62052 0.0 68.44788 +2348 783 2 0.4238 19.4370104 0.0 69.025239 +2349 783 2 0.4238 17.8040296 0.0 69.025239 +2350 784 1 -0.8476 18.62052 0.0 71.5513 +2351 784 2 0.4238 19.4370104 0.0 72.128659 +2352 784 2 0.4238 17.8040296 0.0 72.128659 +2353 785 1 -0.8476 18.62052 3.10342 25.0 +2354 785 2 0.4238 19.4370104 3.10342 25.577359 +2355 785 2 0.4238 17.8040296 3.10342 25.577359 +2356 786 1 -0.8476 18.62052 3.10342 28.10342 +2357 786 2 0.4238 19.4370104 3.10342 28.680779 +2358 786 2 0.4238 17.8040296 3.10342 28.680779 +2359 787 1 -0.8476 18.62052 3.10342 31.20684 +2360 787 2 0.4238 19.4370104 3.10342 31.784199 +2361 787 2 0.4238 17.8040296 3.10342 31.784199 +2362 788 1 -0.8476 18.62052 3.10342 34.31026 +2363 788 2 0.4238 19.4370104 3.10342 34.887619 +2364 788 2 0.4238 17.8040296 3.10342 34.887619 +2365 789 1 -0.8476 18.62052 3.10342 37.41368 +2366 789 2 0.4238 19.4370104 3.10342 37.991039 +2367 789 2 0.4238 17.8040296 3.10342 37.991039 +2368 790 1 -0.8476 18.62052 3.10342 40.5171 +2369 790 2 0.4238 19.4370104 3.10342 41.094459 +2370 790 2 0.4238 17.8040296 3.10342 41.094459 +2371 791 1 -0.8476 18.62052 3.10342 43.62052 +2372 791 2 0.4238 19.4370104 3.10342 44.197879 +2373 791 2 0.4238 17.8040296 3.10342 44.197879 +2374 792 1 -0.8476 18.62052 3.10342 46.72394 +2375 792 2 0.4238 19.4370104 3.10342 47.301299 +2376 792 2 0.4238 17.8040296 3.10342 47.301299 +2377 793 1 -0.8476 18.62052 3.10342 49.82736 +2378 793 2 0.4238 19.4370104 3.10342 50.404719 +2379 793 2 0.4238 17.8040296 3.10342 50.404719 +2380 794 1 -0.8476 18.62052 3.10342 52.93078 +2381 794 2 0.4238 19.4370104 3.10342 53.508139 +2382 794 2 0.4238 17.8040296 3.10342 53.508139 +2383 795 1 -0.8476 18.62052 3.10342 56.0342 +2384 795 2 0.4238 19.4370104 3.10342 56.611559 +2385 795 2 0.4238 17.8040296 3.10342 56.611559 +2386 796 1 -0.8476 18.62052 3.10342 59.13762 +2387 796 2 0.4238 19.4370104 3.10342 59.714979 +2388 796 2 0.4238 17.8040296 3.10342 59.714979 +2389 797 1 -0.8476 18.62052 3.10342 62.24104 +2390 797 2 0.4238 19.4370104 3.10342 62.818399 +2391 797 2 0.4238 17.8040296 3.10342 62.818399 +2392 798 1 -0.8476 18.62052 3.10342 65.34446 +2393 798 2 0.4238 19.4370104 3.10342 65.921819 +2394 798 2 0.4238 17.8040296 3.10342 65.921819 +2395 799 1 -0.8476 18.62052 3.10342 68.44788 +2396 799 2 0.4238 19.4370104 3.10342 69.025239 +2397 799 2 0.4238 17.8040296 3.10342 69.025239 +2398 800 1 -0.8476 18.62052 3.10342 71.5513 +2399 800 2 0.4238 19.4370104 3.10342 72.128659 +2400 800 2 0.4238 17.8040296 3.10342 72.128659 +2401 801 1 -0.8476 18.62052 6.20684 25.0 +2402 801 2 0.4238 19.4370104 6.20684 25.577359 +2403 801 2 0.4238 17.8040296 6.20684 25.577359 +2404 802 1 -0.8476 18.62052 6.20684 28.10342 +2405 802 2 0.4238 19.4370104 6.20684 28.680779 +2406 802 2 0.4238 17.8040296 6.20684 28.680779 +2407 803 1 -0.8476 18.62052 6.20684 31.20684 +2408 803 2 0.4238 19.4370104 6.20684 31.784199 +2409 803 2 0.4238 17.8040296 6.20684 31.784199 +2410 804 1 -0.8476 18.62052 6.20684 34.31026 +2411 804 2 0.4238 19.4370104 6.20684 34.887619 +2412 804 2 0.4238 17.8040296 6.20684 34.887619 +2413 805 1 -0.8476 18.62052 6.20684 37.41368 +2414 805 2 0.4238 19.4370104 6.20684 37.991039 +2415 805 2 0.4238 17.8040296 6.20684 37.991039 +2416 806 1 -0.8476 18.62052 6.20684 40.5171 +2417 806 2 0.4238 19.4370104 6.20684 41.094459 +2418 806 2 0.4238 17.8040296 6.20684 41.094459 +2419 807 1 -0.8476 18.62052 6.20684 43.62052 +2420 807 2 0.4238 19.4370104 6.20684 44.197879 +2421 807 2 0.4238 17.8040296 6.20684 44.197879 +2422 808 1 -0.8476 18.62052 6.20684 46.72394 +2423 808 2 0.4238 19.4370104 6.20684 47.301299 +2424 808 2 0.4238 17.8040296 6.20684 47.301299 +2425 809 1 -0.8476 18.62052 6.20684 49.82736 +2426 809 2 0.4238 19.4370104 6.20684 50.404719 +2427 809 2 0.4238 17.8040296 6.20684 50.404719 +2428 810 1 -0.8476 18.62052 6.20684 52.93078 +2429 810 2 0.4238 19.4370104 6.20684 53.508139 +2430 810 2 0.4238 17.8040296 6.20684 53.508139 +2431 811 1 -0.8476 18.62052 6.20684 56.0342 +2432 811 2 0.4238 19.4370104 6.20684 56.611559 +2433 811 2 0.4238 17.8040296 6.20684 56.611559 +2434 812 1 -0.8476 18.62052 6.20684 59.13762 +2435 812 2 0.4238 19.4370104 6.20684 59.714979 +2436 812 2 0.4238 17.8040296 6.20684 59.714979 +2437 813 1 -0.8476 18.62052 6.20684 62.24104 +2438 813 2 0.4238 19.4370104 6.20684 62.818399 +2439 813 2 0.4238 17.8040296 6.20684 62.818399 +2440 814 1 -0.8476 18.62052 6.20684 65.34446 +2441 814 2 0.4238 19.4370104 6.20684 65.921819 +2442 814 2 0.4238 17.8040296 6.20684 65.921819 +2443 815 1 -0.8476 18.62052 6.20684 68.44788 +2444 815 2 0.4238 19.4370104 6.20684 69.025239 +2445 815 2 0.4238 17.8040296 6.20684 69.025239 +2446 816 1 -0.8476 18.62052 6.20684 71.5513 +2447 816 2 0.4238 19.4370104 6.20684 72.128659 +2448 816 2 0.4238 17.8040296 6.20684 72.128659 +2449 817 1 -0.8476 18.62052 9.31026 25.0 +2450 817 2 0.4238 19.4370104 9.31026 25.577359 +2451 817 2 0.4238 17.8040296 9.31026 25.577359 +2452 818 1 -0.8476 18.62052 9.31026 28.10342 +2453 818 2 0.4238 19.4370104 9.31026 28.680779 +2454 818 2 0.4238 17.8040296 9.31026 28.680779 +2455 819 1 -0.8476 18.62052 9.31026 31.20684 +2456 819 2 0.4238 19.4370104 9.31026 31.784199 +2457 819 2 0.4238 17.8040296 9.31026 31.784199 +2458 820 1 -0.8476 18.62052 9.31026 34.31026 +2459 820 2 0.4238 19.4370104 9.31026 34.887619 +2460 820 2 0.4238 17.8040296 9.31026 34.887619 +2461 821 1 -0.8476 18.62052 9.31026 37.41368 +2462 821 2 0.4238 19.4370104 9.31026 37.991039 +2463 821 2 0.4238 17.8040296 9.31026 37.991039 +2464 822 1 -0.8476 18.62052 9.31026 40.5171 +2465 822 2 0.4238 19.4370104 9.31026 41.094459 +2466 822 2 0.4238 17.8040296 9.31026 41.094459 +2467 823 1 -0.8476 18.62052 9.31026 43.62052 +2468 823 2 0.4238 19.4370104 9.31026 44.197879 +2469 823 2 0.4238 17.8040296 9.31026 44.197879 +2470 824 1 -0.8476 18.62052 9.31026 46.72394 +2471 824 2 0.4238 19.4370104 9.31026 47.301299 +2472 824 2 0.4238 17.8040296 9.31026 47.301299 +2473 825 1 -0.8476 18.62052 9.31026 49.82736 +2474 825 2 0.4238 19.4370104 9.31026 50.404719 +2475 825 2 0.4238 17.8040296 9.31026 50.404719 +2476 826 1 -0.8476 18.62052 9.31026 52.93078 +2477 826 2 0.4238 19.4370104 9.31026 53.508139 +2478 826 2 0.4238 17.8040296 9.31026 53.508139 +2479 827 1 -0.8476 18.62052 9.31026 56.0342 +2480 827 2 0.4238 19.4370104 9.31026 56.611559 +2481 827 2 0.4238 17.8040296 9.31026 56.611559 +2482 828 1 -0.8476 18.62052 9.31026 59.13762 +2483 828 2 0.4238 19.4370104 9.31026 59.714979 +2484 828 2 0.4238 17.8040296 9.31026 59.714979 +2485 829 1 -0.8476 18.62052 9.31026 62.24104 +2486 829 2 0.4238 19.4370104 9.31026 62.818399 +2487 829 2 0.4238 17.8040296 9.31026 62.818399 +2488 830 1 -0.8476 18.62052 9.31026 65.34446 +2489 830 2 0.4238 19.4370104 9.31026 65.921819 +2490 830 2 0.4238 17.8040296 9.31026 65.921819 +2491 831 1 -0.8476 18.62052 9.31026 68.44788 +2492 831 2 0.4238 19.4370104 9.31026 69.025239 +2493 831 2 0.4238 17.8040296 9.31026 69.025239 +2494 832 1 -0.8476 18.62052 9.31026 71.5513 +2495 832 2 0.4238 19.4370104 9.31026 72.128659 +2496 832 2 0.4238 17.8040296 9.31026 72.128659 +2497 833 1 -0.8476 18.62052 12.41368 25.0 +2498 833 2 0.4238 19.4370104 12.41368 25.577359 +2499 833 2 0.4238 17.8040296 12.41368 25.577359 +2500 834 1 -0.8476 18.62052 12.41368 28.10342 +2501 834 2 0.4238 19.4370104 12.41368 28.680779 +2502 834 2 0.4238 17.8040296 12.41368 28.680779 +2503 835 1 -0.8476 18.62052 12.41368 31.20684 +2504 835 2 0.4238 19.4370104 12.41368 31.784199 +2505 835 2 0.4238 17.8040296 12.41368 31.784199 +2506 836 1 -0.8476 18.62052 12.41368 34.31026 +2507 836 2 0.4238 19.4370104 12.41368 34.887619 +2508 836 2 0.4238 17.8040296 12.41368 34.887619 +2509 837 1 -0.8476 18.62052 12.41368 37.41368 +2510 837 2 0.4238 19.4370104 12.41368 37.991039 +2511 837 2 0.4238 17.8040296 12.41368 37.991039 +2512 838 1 -0.8476 18.62052 12.41368 40.5171 +2513 838 2 0.4238 19.4370104 12.41368 41.094459 +2514 838 2 0.4238 17.8040296 12.41368 41.094459 +2515 839 1 -0.8476 18.62052 12.41368 43.62052 +2516 839 2 0.4238 19.4370104 12.41368 44.197879 +2517 839 2 0.4238 17.8040296 12.41368 44.197879 +2518 840 1 -0.8476 18.62052 12.41368 46.72394 +2519 840 2 0.4238 19.4370104 12.41368 47.301299 +2520 840 2 0.4238 17.8040296 12.41368 47.301299 +2521 841 1 -0.8476 18.62052 12.41368 49.82736 +2522 841 2 0.4238 19.4370104 12.41368 50.404719 +2523 841 2 0.4238 17.8040296 12.41368 50.404719 +2524 842 1 -0.8476 18.62052 12.41368 52.93078 +2525 842 2 0.4238 19.4370104 12.41368 53.508139 +2526 842 2 0.4238 17.8040296 12.41368 53.508139 +2527 843 1 -0.8476 18.62052 12.41368 56.0342 +2528 843 2 0.4238 19.4370104 12.41368 56.611559 +2529 843 2 0.4238 17.8040296 12.41368 56.611559 +2530 844 1 -0.8476 18.62052 12.41368 59.13762 +2531 844 2 0.4238 19.4370104 12.41368 59.714979 +2532 844 2 0.4238 17.8040296 12.41368 59.714979 +2533 845 1 -0.8476 18.62052 12.41368 62.24104 +2534 845 2 0.4238 19.4370104 12.41368 62.818399 +2535 845 2 0.4238 17.8040296 12.41368 62.818399 +2536 846 1 -0.8476 18.62052 12.41368 65.34446 +2537 846 2 0.4238 19.4370104 12.41368 65.921819 +2538 846 2 0.4238 17.8040296 12.41368 65.921819 +2539 847 1 -0.8476 18.62052 12.41368 68.44788 +2540 847 2 0.4238 19.4370104 12.41368 69.025239 +2541 847 2 0.4238 17.8040296 12.41368 69.025239 +2542 848 1 -0.8476 18.62052 12.41368 71.5513 +2543 848 2 0.4238 19.4370104 12.41368 72.128659 +2544 848 2 0.4238 17.8040296 12.41368 72.128659 +2545 849 1 -0.8476 18.62052 15.5171 25.0 +2546 849 2 0.4238 19.4370104 15.5171 25.577359 +2547 849 2 0.4238 17.8040296 15.5171 25.577359 +2548 850 1 -0.8476 18.62052 15.5171 28.10342 +2549 850 2 0.4238 19.4370104 15.5171 28.680779 +2550 850 2 0.4238 17.8040296 15.5171 28.680779 +2551 851 1 -0.8476 18.62052 15.5171 31.20684 +2552 851 2 0.4238 19.4370104 15.5171 31.784199 +2553 851 2 0.4238 17.8040296 15.5171 31.784199 +2554 852 1 -0.8476 18.62052 15.5171 34.31026 +2555 852 2 0.4238 19.4370104 15.5171 34.887619 +2556 852 2 0.4238 17.8040296 15.5171 34.887619 +2557 853 1 -0.8476 18.62052 15.5171 37.41368 +2558 853 2 0.4238 19.4370104 15.5171 37.991039 +2559 853 2 0.4238 17.8040296 15.5171 37.991039 +2560 854 1 -0.8476 18.62052 15.5171 40.5171 +2561 854 2 0.4238 19.4370104 15.5171 41.094459 +2562 854 2 0.4238 17.8040296 15.5171 41.094459 +2563 855 1 -0.8476 18.62052 15.5171 43.62052 +2564 855 2 0.4238 19.4370104 15.5171 44.197879 +2565 855 2 0.4238 17.8040296 15.5171 44.197879 +2566 856 1 -0.8476 18.62052 15.5171 46.72394 +2567 856 2 0.4238 19.4370104 15.5171 47.301299 +2568 856 2 0.4238 17.8040296 15.5171 47.301299 +2569 857 1 -0.8476 18.62052 15.5171 49.82736 +2570 857 2 0.4238 19.4370104 15.5171 50.404719 +2571 857 2 0.4238 17.8040296 15.5171 50.404719 +2572 858 1 -0.8476 18.62052 15.5171 52.93078 +2573 858 2 0.4238 19.4370104 15.5171 53.508139 +2574 858 2 0.4238 17.8040296 15.5171 53.508139 +2575 859 1 -0.8476 18.62052 15.5171 56.0342 +2576 859 2 0.4238 19.4370104 15.5171 56.611559 +2577 859 2 0.4238 17.8040296 15.5171 56.611559 +2578 860 1 -0.8476 18.62052 15.5171 59.13762 +2579 860 2 0.4238 19.4370104 15.5171 59.714979 +2580 860 2 0.4238 17.8040296 15.5171 59.714979 +2581 861 1 -0.8476 18.62052 15.5171 62.24104 +2582 861 2 0.4238 19.4370104 15.5171 62.818399 +2583 861 2 0.4238 17.8040296 15.5171 62.818399 +2584 862 1 -0.8476 18.62052 15.5171 65.34446 +2585 862 2 0.4238 19.4370104 15.5171 65.921819 +2586 862 2 0.4238 17.8040296 15.5171 65.921819 +2587 863 1 -0.8476 18.62052 15.5171 68.44788 +2588 863 2 0.4238 19.4370104 15.5171 69.025239 +2589 863 2 0.4238 17.8040296 15.5171 69.025239 +2590 864 1 -0.8476 18.62052 15.5171 71.5513 +2591 864 2 0.4238 19.4370104 15.5171 72.128659 +2592 864 2 0.4238 17.8040296 15.5171 72.128659 +2593 865 1 -0.8476 18.62052 18.62052 25.0 +2594 865 2 0.4238 19.4370104 18.62052 25.577359 +2595 865 2 0.4238 17.8040296 18.62052 25.577359 +2596 866 1 -0.8476 18.62052 18.62052 28.10342 +2597 866 2 0.4238 19.4370104 18.62052 28.680779 +2598 866 2 0.4238 17.8040296 18.62052 28.680779 +2599 867 1 -0.8476 18.62052 18.62052 31.20684 +2600 867 2 0.4238 19.4370104 18.62052 31.784199 +2601 867 2 0.4238 17.8040296 18.62052 31.784199 +2602 868 1 -0.8476 18.62052 18.62052 34.31026 +2603 868 2 0.4238 19.4370104 18.62052 34.887619 +2604 868 2 0.4238 17.8040296 18.62052 34.887619 +2605 869 1 -0.8476 18.62052 18.62052 37.41368 +2606 869 2 0.4238 19.4370104 18.62052 37.991039 +2607 869 2 0.4238 17.8040296 18.62052 37.991039 +2608 870 1 -0.8476 18.62052 18.62052 40.5171 +2609 870 2 0.4238 19.4370104 18.62052 41.094459 +2610 870 2 0.4238 17.8040296 18.62052 41.094459 +2611 871 1 -0.8476 18.62052 18.62052 43.62052 +2612 871 2 0.4238 19.4370104 18.62052 44.197879 +2613 871 2 0.4238 17.8040296 18.62052 44.197879 +2614 872 1 -0.8476 18.62052 18.62052 46.72394 +2615 872 2 0.4238 19.4370104 18.62052 47.301299 +2616 872 2 0.4238 17.8040296 18.62052 47.301299 +2617 873 1 -0.8476 18.62052 18.62052 49.82736 +2618 873 2 0.4238 19.4370104 18.62052 50.404719 +2619 873 2 0.4238 17.8040296 18.62052 50.404719 +2620 874 1 -0.8476 18.62052 18.62052 52.93078 +2621 874 2 0.4238 19.4370104 18.62052 53.508139 +2622 874 2 0.4238 17.8040296 18.62052 53.508139 +2623 875 1 -0.8476 18.62052 18.62052 56.0342 +2624 875 2 0.4238 19.4370104 18.62052 56.611559 +2625 875 2 0.4238 17.8040296 18.62052 56.611559 +2626 876 1 -0.8476 18.62052 18.62052 59.13762 +2627 876 2 0.4238 19.4370104 18.62052 59.714979 +2628 876 2 0.4238 17.8040296 18.62052 59.714979 +2629 877 1 -0.8476 18.62052 18.62052 62.24104 +2630 877 2 0.4238 19.4370104 18.62052 62.818399 +2631 877 2 0.4238 17.8040296 18.62052 62.818399 +2632 878 1 -0.8476 18.62052 18.62052 65.34446 +2633 878 2 0.4238 19.4370104 18.62052 65.921819 +2634 878 2 0.4238 17.8040296 18.62052 65.921819 +2635 879 1 -0.8476 18.62052 18.62052 68.44788 +2636 879 2 0.4238 19.4370104 18.62052 69.025239 +2637 879 2 0.4238 17.8040296 18.62052 69.025239 +2638 880 1 -0.8476 18.62052 18.62052 71.5513 +2639 880 2 0.4238 19.4370104 18.62052 72.128659 +2640 880 2 0.4238 17.8040296 18.62052 72.128659 +2641 881 1 -0.8476 18.62052 21.72394 25.0 +2642 881 2 0.4238 19.4370104 21.72394 25.577359 +2643 881 2 0.4238 17.8040296 21.72394 25.577359 +2644 882 1 -0.8476 18.62052 21.72394 28.10342 +2645 882 2 0.4238 19.4370104 21.72394 28.680779 +2646 882 2 0.4238 17.8040296 21.72394 28.680779 +2647 883 1 -0.8476 18.62052 21.72394 31.20684 +2648 883 2 0.4238 19.4370104 21.72394 31.784199 +2649 883 2 0.4238 17.8040296 21.72394 31.784199 +2650 884 1 -0.8476 18.62052 21.72394 34.31026 +2651 884 2 0.4238 19.4370104 21.72394 34.887619 +2652 884 2 0.4238 17.8040296 21.72394 34.887619 +2653 885 1 -0.8476 18.62052 21.72394 37.41368 +2654 885 2 0.4238 19.4370104 21.72394 37.991039 +2655 885 2 0.4238 17.8040296 21.72394 37.991039 +2656 886 1 -0.8476 18.62052 21.72394 40.5171 +2657 886 2 0.4238 19.4370104 21.72394 41.094459 +2658 886 2 0.4238 17.8040296 21.72394 41.094459 +2659 887 1 -0.8476 18.62052 21.72394 43.62052 +2660 887 2 0.4238 19.4370104 21.72394 44.197879 +2661 887 2 0.4238 17.8040296 21.72394 44.197879 +2662 888 1 -0.8476 18.62052 21.72394 46.72394 +2663 888 2 0.4238 19.4370104 21.72394 47.301299 +2664 888 2 0.4238 17.8040296 21.72394 47.301299 +2665 889 1 -0.8476 18.62052 21.72394 49.82736 +2666 889 2 0.4238 19.4370104 21.72394 50.404719 +2667 889 2 0.4238 17.8040296 21.72394 50.404719 +2668 890 1 -0.8476 18.62052 21.72394 52.93078 +2669 890 2 0.4238 19.4370104 21.72394 53.508139 +2670 890 2 0.4238 17.8040296 21.72394 53.508139 +2671 891 1 -0.8476 18.62052 21.72394 56.0342 +2672 891 2 0.4238 19.4370104 21.72394 56.611559 +2673 891 2 0.4238 17.8040296 21.72394 56.611559 +2674 892 1 -0.8476 18.62052 21.72394 59.13762 +2675 892 2 0.4238 19.4370104 21.72394 59.714979 +2676 892 2 0.4238 17.8040296 21.72394 59.714979 +2677 893 1 -0.8476 18.62052 21.72394 62.24104 +2678 893 2 0.4238 19.4370104 21.72394 62.818399 +2679 893 2 0.4238 17.8040296 21.72394 62.818399 +2680 894 1 -0.8476 18.62052 21.72394 65.34446 +2681 894 2 0.4238 19.4370104 21.72394 65.921819 +2682 894 2 0.4238 17.8040296 21.72394 65.921819 +2683 895 1 -0.8476 18.62052 21.72394 68.44788 +2684 895 2 0.4238 19.4370104 21.72394 69.025239 +2685 895 2 0.4238 17.8040296 21.72394 69.025239 +2686 896 1 -0.8476 18.62052 21.72394 71.5513 +2687 896 2 0.4238 19.4370104 21.72394 72.128659 +2688 896 2 0.4238 17.8040296 21.72394 72.128659 +2689 897 1 -0.8476 21.72394 0.0 25.0 +2690 897 2 0.4238 22.540430399999998 0.0 25.577359 +2691 897 2 0.4238 20.9074496 0.0 25.577359 +2692 898 1 -0.8476 21.72394 0.0 28.10342 +2693 898 2 0.4238 22.540430399999998 0.0 28.680779 +2694 898 2 0.4238 20.9074496 0.0 28.680779 +2695 899 1 -0.8476 21.72394 0.0 31.20684 +2696 899 2 0.4238 22.540430399999998 0.0 31.784199 +2697 899 2 0.4238 20.9074496 0.0 31.784199 +2698 900 1 -0.8476 21.72394 0.0 34.31026 +2699 900 2 0.4238 22.540430399999998 0.0 34.887619 +2700 900 2 0.4238 20.9074496 0.0 34.887619 +2701 901 1 -0.8476 21.72394 0.0 37.41368 +2702 901 2 0.4238 22.540430399999998 0.0 37.991039 +2703 901 2 0.4238 20.9074496 0.0 37.991039 +2704 902 1 -0.8476 21.72394 0.0 40.5171 +2705 902 2 0.4238 22.540430399999998 0.0 41.094459 +2706 902 2 0.4238 20.9074496 0.0 41.094459 +2707 903 1 -0.8476 21.72394 0.0 43.62052 +2708 903 2 0.4238 22.540430399999998 0.0 44.197879 +2709 903 2 0.4238 20.9074496 0.0 44.197879 +2710 904 1 -0.8476 21.72394 0.0 46.72394 +2711 904 2 0.4238 22.540430399999998 0.0 47.301299 +2712 904 2 0.4238 20.9074496 0.0 47.301299 +2713 905 1 -0.8476 21.72394 0.0 49.82736 +2714 905 2 0.4238 22.540430399999998 0.0 50.404719 +2715 905 2 0.4238 20.9074496 0.0 50.404719 +2716 906 1 -0.8476 21.72394 0.0 52.93078 +2717 906 2 0.4238 22.540430399999998 0.0 53.508139 +2718 906 2 0.4238 20.9074496 0.0 53.508139 +2719 907 1 -0.8476 21.72394 0.0 56.0342 +2720 907 2 0.4238 22.540430399999998 0.0 56.611559 +2721 907 2 0.4238 20.9074496 0.0 56.611559 +2722 908 1 -0.8476 21.72394 0.0 59.13762 +2723 908 2 0.4238 22.540430399999998 0.0 59.714979 +2724 908 2 0.4238 20.9074496 0.0 59.714979 +2725 909 1 -0.8476 21.72394 0.0 62.24104 +2726 909 2 0.4238 22.540430399999998 0.0 62.818399 +2727 909 2 0.4238 20.9074496 0.0 62.818399 +2728 910 1 -0.8476 21.72394 0.0 65.34446 +2729 910 2 0.4238 22.540430399999998 0.0 65.921819 +2730 910 2 0.4238 20.9074496 0.0 65.921819 +2731 911 1 -0.8476 21.72394 0.0 68.44788 +2732 911 2 0.4238 22.540430399999998 0.0 69.025239 +2733 911 2 0.4238 20.9074496 0.0 69.025239 +2734 912 1 -0.8476 21.72394 0.0 71.5513 +2735 912 2 0.4238 22.540430399999998 0.0 72.128659 +2736 912 2 0.4238 20.9074496 0.0 72.128659 +2737 913 1 -0.8476 21.72394 3.10342 25.0 +2738 913 2 0.4238 22.540430399999998 3.10342 25.577359 +2739 913 2 0.4238 20.9074496 3.10342 25.577359 +2740 914 1 -0.8476 21.72394 3.10342 28.10342 +2741 914 2 0.4238 22.540430399999998 3.10342 28.680779 +2742 914 2 0.4238 20.9074496 3.10342 28.680779 +2743 915 1 -0.8476 21.72394 3.10342 31.20684 +2744 915 2 0.4238 22.540430399999998 3.10342 31.784199 +2745 915 2 0.4238 20.9074496 3.10342 31.784199 +2746 916 1 -0.8476 21.72394 3.10342 34.31026 +2747 916 2 0.4238 22.540430399999998 3.10342 34.887619 +2748 916 2 0.4238 20.9074496 3.10342 34.887619 +2749 917 1 -0.8476 21.72394 3.10342 37.41368 +2750 917 2 0.4238 22.540430399999998 3.10342 37.991039 +2751 917 2 0.4238 20.9074496 3.10342 37.991039 +2752 918 1 -0.8476 21.72394 3.10342 40.5171 +2753 918 2 0.4238 22.540430399999998 3.10342 41.094459 +2754 918 2 0.4238 20.9074496 3.10342 41.094459 +2755 919 1 -0.8476 21.72394 3.10342 43.62052 +2756 919 2 0.4238 22.540430399999998 3.10342 44.197879 +2757 919 2 0.4238 20.9074496 3.10342 44.197879 +2758 920 1 -0.8476 21.72394 3.10342 46.72394 +2759 920 2 0.4238 22.540430399999998 3.10342 47.301299 +2760 920 2 0.4238 20.9074496 3.10342 47.301299 +2761 921 1 -0.8476 21.72394 3.10342 49.82736 +2762 921 2 0.4238 22.540430399999998 3.10342 50.404719 +2763 921 2 0.4238 20.9074496 3.10342 50.404719 +2764 922 1 -0.8476 21.72394 3.10342 52.93078 +2765 922 2 0.4238 22.540430399999998 3.10342 53.508139 +2766 922 2 0.4238 20.9074496 3.10342 53.508139 +2767 923 1 -0.8476 21.72394 3.10342 56.0342 +2768 923 2 0.4238 22.540430399999998 3.10342 56.611559 +2769 923 2 0.4238 20.9074496 3.10342 56.611559 +2770 924 1 -0.8476 21.72394 3.10342 59.13762 +2771 924 2 0.4238 22.540430399999998 3.10342 59.714979 +2772 924 2 0.4238 20.9074496 3.10342 59.714979 +2773 925 1 -0.8476 21.72394 3.10342 62.24104 +2774 925 2 0.4238 22.540430399999998 3.10342 62.818399 +2775 925 2 0.4238 20.9074496 3.10342 62.818399 +2776 926 1 -0.8476 21.72394 3.10342 65.34446 +2777 926 2 0.4238 22.540430399999998 3.10342 65.921819 +2778 926 2 0.4238 20.9074496 3.10342 65.921819 +2779 927 1 -0.8476 21.72394 3.10342 68.44788 +2780 927 2 0.4238 22.540430399999998 3.10342 69.025239 +2781 927 2 0.4238 20.9074496 3.10342 69.025239 +2782 928 1 -0.8476 21.72394 3.10342 71.5513 +2783 928 2 0.4238 22.540430399999998 3.10342 72.128659 +2784 928 2 0.4238 20.9074496 3.10342 72.128659 +2785 929 1 -0.8476 21.72394 6.20684 25.0 +2786 929 2 0.4238 22.540430399999998 6.20684 25.577359 +2787 929 2 0.4238 20.9074496 6.20684 25.577359 +2788 930 1 -0.8476 21.72394 6.20684 28.10342 +2789 930 2 0.4238 22.540430399999998 6.20684 28.680779 +2790 930 2 0.4238 20.9074496 6.20684 28.680779 +2791 931 1 -0.8476 21.72394 6.20684 31.20684 +2792 931 2 0.4238 22.540430399999998 6.20684 31.784199 +2793 931 2 0.4238 20.9074496 6.20684 31.784199 +2794 932 1 -0.8476 21.72394 6.20684 34.31026 +2795 932 2 0.4238 22.540430399999998 6.20684 34.887619 +2796 932 2 0.4238 20.9074496 6.20684 34.887619 +2797 933 1 -0.8476 21.72394 6.20684 37.41368 +2798 933 2 0.4238 22.540430399999998 6.20684 37.991039 +2799 933 2 0.4238 20.9074496 6.20684 37.991039 +2800 934 1 -0.8476 21.72394 6.20684 40.5171 +2801 934 2 0.4238 22.540430399999998 6.20684 41.094459 +2802 934 2 0.4238 20.9074496 6.20684 41.094459 +2803 935 1 -0.8476 21.72394 6.20684 43.62052 +2804 935 2 0.4238 22.540430399999998 6.20684 44.197879 +2805 935 2 0.4238 20.9074496 6.20684 44.197879 +2806 936 1 -0.8476 21.72394 6.20684 46.72394 +2807 936 2 0.4238 22.540430399999998 6.20684 47.301299 +2808 936 2 0.4238 20.9074496 6.20684 47.301299 +2809 937 1 -0.8476 21.72394 6.20684 49.82736 +2810 937 2 0.4238 22.540430399999998 6.20684 50.404719 +2811 937 2 0.4238 20.9074496 6.20684 50.404719 +2812 938 1 -0.8476 21.72394 6.20684 52.93078 +2813 938 2 0.4238 22.540430399999998 6.20684 53.508139 +2814 938 2 0.4238 20.9074496 6.20684 53.508139 +2815 939 1 -0.8476 21.72394 6.20684 56.0342 +2816 939 2 0.4238 22.540430399999998 6.20684 56.611559 +2817 939 2 0.4238 20.9074496 6.20684 56.611559 +2818 940 1 -0.8476 21.72394 6.20684 59.13762 +2819 940 2 0.4238 22.540430399999998 6.20684 59.714979 +2820 940 2 0.4238 20.9074496 6.20684 59.714979 +2821 941 1 -0.8476 21.72394 6.20684 62.24104 +2822 941 2 0.4238 22.540430399999998 6.20684 62.818399 +2823 941 2 0.4238 20.9074496 6.20684 62.818399 +2824 942 1 -0.8476 21.72394 6.20684 65.34446 +2825 942 2 0.4238 22.540430399999998 6.20684 65.921819 +2826 942 2 0.4238 20.9074496 6.20684 65.921819 +2827 943 1 -0.8476 21.72394 6.20684 68.44788 +2828 943 2 0.4238 22.540430399999998 6.20684 69.025239 +2829 943 2 0.4238 20.9074496 6.20684 69.025239 +2830 944 1 -0.8476 21.72394 6.20684 71.5513 +2831 944 2 0.4238 22.540430399999998 6.20684 72.128659 +2832 944 2 0.4238 20.9074496 6.20684 72.128659 +2833 945 1 -0.8476 21.72394 9.31026 25.0 +2834 945 2 0.4238 22.540430399999998 9.31026 25.577359 +2835 945 2 0.4238 20.9074496 9.31026 25.577359 +2836 946 1 -0.8476 21.72394 9.31026 28.10342 +2837 946 2 0.4238 22.540430399999998 9.31026 28.680779 +2838 946 2 0.4238 20.9074496 9.31026 28.680779 +2839 947 1 -0.8476 21.72394 9.31026 31.20684 +2840 947 2 0.4238 22.540430399999998 9.31026 31.784199 +2841 947 2 0.4238 20.9074496 9.31026 31.784199 +2842 948 1 -0.8476 21.72394 9.31026 34.31026 +2843 948 2 0.4238 22.540430399999998 9.31026 34.887619 +2844 948 2 0.4238 20.9074496 9.31026 34.887619 +2845 949 1 -0.8476 21.72394 9.31026 37.41368 +2846 949 2 0.4238 22.540430399999998 9.31026 37.991039 +2847 949 2 0.4238 20.9074496 9.31026 37.991039 +2848 950 1 -0.8476 21.72394 9.31026 40.5171 +2849 950 2 0.4238 22.540430399999998 9.31026 41.094459 +2850 950 2 0.4238 20.9074496 9.31026 41.094459 +2851 951 1 -0.8476 21.72394 9.31026 43.62052 +2852 951 2 0.4238 22.540430399999998 9.31026 44.197879 +2853 951 2 0.4238 20.9074496 9.31026 44.197879 +2854 952 1 -0.8476 21.72394 9.31026 46.72394 +2855 952 2 0.4238 22.540430399999998 9.31026 47.301299 +2856 952 2 0.4238 20.9074496 9.31026 47.301299 +2857 953 1 -0.8476 21.72394 9.31026 49.82736 +2858 953 2 0.4238 22.540430399999998 9.31026 50.404719 +2859 953 2 0.4238 20.9074496 9.31026 50.404719 +2860 954 1 -0.8476 21.72394 9.31026 52.93078 +2861 954 2 0.4238 22.540430399999998 9.31026 53.508139 +2862 954 2 0.4238 20.9074496 9.31026 53.508139 +2863 955 1 -0.8476 21.72394 9.31026 56.0342 +2864 955 2 0.4238 22.540430399999998 9.31026 56.611559 +2865 955 2 0.4238 20.9074496 9.31026 56.611559 +2866 956 1 -0.8476 21.72394 9.31026 59.13762 +2867 956 2 0.4238 22.540430399999998 9.31026 59.714979 +2868 956 2 0.4238 20.9074496 9.31026 59.714979 +2869 957 1 -0.8476 21.72394 9.31026 62.24104 +2870 957 2 0.4238 22.540430399999998 9.31026 62.818399 +2871 957 2 0.4238 20.9074496 9.31026 62.818399 +2872 958 1 -0.8476 21.72394 9.31026 65.34446 +2873 958 2 0.4238 22.540430399999998 9.31026 65.921819 +2874 958 2 0.4238 20.9074496 9.31026 65.921819 +2875 959 1 -0.8476 21.72394 9.31026 68.44788 +2876 959 2 0.4238 22.540430399999998 9.31026 69.025239 +2877 959 2 0.4238 20.9074496 9.31026 69.025239 +2878 960 1 -0.8476 21.72394 9.31026 71.5513 +2879 960 2 0.4238 22.540430399999998 9.31026 72.128659 +2880 960 2 0.4238 20.9074496 9.31026 72.128659 +2881 961 1 -0.8476 21.72394 12.41368 25.0 +2882 961 2 0.4238 22.540430399999998 12.41368 25.577359 +2883 961 2 0.4238 20.9074496 12.41368 25.577359 +2884 962 1 -0.8476 21.72394 12.41368 28.10342 +2885 962 2 0.4238 22.540430399999998 12.41368 28.680779 +2886 962 2 0.4238 20.9074496 12.41368 28.680779 +2887 963 1 -0.8476 21.72394 12.41368 31.20684 +2888 963 2 0.4238 22.540430399999998 12.41368 31.784199 +2889 963 2 0.4238 20.9074496 12.41368 31.784199 +2890 964 1 -0.8476 21.72394 12.41368 34.31026 +2891 964 2 0.4238 22.540430399999998 12.41368 34.887619 +2892 964 2 0.4238 20.9074496 12.41368 34.887619 +2893 965 1 -0.8476 21.72394 12.41368 37.41368 +2894 965 2 0.4238 22.540430399999998 12.41368 37.991039 +2895 965 2 0.4238 20.9074496 12.41368 37.991039 +2896 966 1 -0.8476 21.72394 12.41368 40.5171 +2897 966 2 0.4238 22.540430399999998 12.41368 41.094459 +2898 966 2 0.4238 20.9074496 12.41368 41.094459 +2899 967 1 -0.8476 21.72394 12.41368 43.62052 +2900 967 2 0.4238 22.540430399999998 12.41368 44.197879 +2901 967 2 0.4238 20.9074496 12.41368 44.197879 +2902 968 1 -0.8476 21.72394 12.41368 46.72394 +2903 968 2 0.4238 22.540430399999998 12.41368 47.301299 +2904 968 2 0.4238 20.9074496 12.41368 47.301299 +2905 969 1 -0.8476 21.72394 12.41368 49.82736 +2906 969 2 0.4238 22.540430399999998 12.41368 50.404719 +2907 969 2 0.4238 20.9074496 12.41368 50.404719 +2908 970 1 -0.8476 21.72394 12.41368 52.93078 +2909 970 2 0.4238 22.540430399999998 12.41368 53.508139 +2910 970 2 0.4238 20.9074496 12.41368 53.508139 +2911 971 1 -0.8476 21.72394 12.41368 56.0342 +2912 971 2 0.4238 22.540430399999998 12.41368 56.611559 +2913 971 2 0.4238 20.9074496 12.41368 56.611559 +2914 972 1 -0.8476 21.72394 12.41368 59.13762 +2915 972 2 0.4238 22.540430399999998 12.41368 59.714979 +2916 972 2 0.4238 20.9074496 12.41368 59.714979 +2917 973 1 -0.8476 21.72394 12.41368 62.24104 +2918 973 2 0.4238 22.540430399999998 12.41368 62.818399 +2919 973 2 0.4238 20.9074496 12.41368 62.818399 +2920 974 1 -0.8476 21.72394 12.41368 65.34446 +2921 974 2 0.4238 22.540430399999998 12.41368 65.921819 +2922 974 2 0.4238 20.9074496 12.41368 65.921819 +2923 975 1 -0.8476 21.72394 12.41368 68.44788 +2924 975 2 0.4238 22.540430399999998 12.41368 69.025239 +2925 975 2 0.4238 20.9074496 12.41368 69.025239 +2926 976 1 -0.8476 21.72394 12.41368 71.5513 +2927 976 2 0.4238 22.540430399999998 12.41368 72.128659 +2928 976 2 0.4238 20.9074496 12.41368 72.128659 +2929 977 1 -0.8476 21.72394 15.5171 25.0 +2930 977 2 0.4238 22.540430399999998 15.5171 25.577359 +2931 977 2 0.4238 20.9074496 15.5171 25.577359 +2932 978 1 -0.8476 21.72394 15.5171 28.10342 +2933 978 2 0.4238 22.540430399999998 15.5171 28.680779 +2934 978 2 0.4238 20.9074496 15.5171 28.680779 +2935 979 1 -0.8476 21.72394 15.5171 31.20684 +2936 979 2 0.4238 22.540430399999998 15.5171 31.784199 +2937 979 2 0.4238 20.9074496 15.5171 31.784199 +2938 980 1 -0.8476 21.72394 15.5171 34.31026 +2939 980 2 0.4238 22.540430399999998 15.5171 34.887619 +2940 980 2 0.4238 20.9074496 15.5171 34.887619 +2941 981 1 -0.8476 21.72394 15.5171 37.41368 +2942 981 2 0.4238 22.540430399999998 15.5171 37.991039 +2943 981 2 0.4238 20.9074496 15.5171 37.991039 +2944 982 1 -0.8476 21.72394 15.5171 40.5171 +2945 982 2 0.4238 22.540430399999998 15.5171 41.094459 +2946 982 2 0.4238 20.9074496 15.5171 41.094459 +2947 983 1 -0.8476 21.72394 15.5171 43.62052 +2948 983 2 0.4238 22.540430399999998 15.5171 44.197879 +2949 983 2 0.4238 20.9074496 15.5171 44.197879 +2950 984 1 -0.8476 21.72394 15.5171 46.72394 +2951 984 2 0.4238 22.540430399999998 15.5171 47.301299 +2952 984 2 0.4238 20.9074496 15.5171 47.301299 +2953 985 1 -0.8476 21.72394 15.5171 49.82736 +2954 985 2 0.4238 22.540430399999998 15.5171 50.404719 +2955 985 2 0.4238 20.9074496 15.5171 50.404719 +2956 986 1 -0.8476 21.72394 15.5171 52.93078 +2957 986 2 0.4238 22.540430399999998 15.5171 53.508139 +2958 986 2 0.4238 20.9074496 15.5171 53.508139 +2959 987 1 -0.8476 21.72394 15.5171 56.0342 +2960 987 2 0.4238 22.540430399999998 15.5171 56.611559 +2961 987 2 0.4238 20.9074496 15.5171 56.611559 +2962 988 1 -0.8476 21.72394 15.5171 59.13762 +2963 988 2 0.4238 22.540430399999998 15.5171 59.714979 +2964 988 2 0.4238 20.9074496 15.5171 59.714979 +2965 989 1 -0.8476 21.72394 15.5171 62.24104 +2966 989 2 0.4238 22.540430399999998 15.5171 62.818399 +2967 989 2 0.4238 20.9074496 15.5171 62.818399 +2968 990 1 -0.8476 21.72394 15.5171 65.34446 +2969 990 2 0.4238 22.540430399999998 15.5171 65.921819 +2970 990 2 0.4238 20.9074496 15.5171 65.921819 +2971 991 1 -0.8476 21.72394 15.5171 68.44788 +2972 991 2 0.4238 22.540430399999998 15.5171 69.025239 +2973 991 2 0.4238 20.9074496 15.5171 69.025239 +2974 992 1 -0.8476 21.72394 15.5171 71.5513 +2975 992 2 0.4238 22.540430399999998 15.5171 72.128659 +2976 992 2 0.4238 20.9074496 15.5171 72.128659 +2977 993 1 -0.8476 21.72394 18.62052 25.0 +2978 993 2 0.4238 22.540430399999998 18.62052 25.577359 +2979 993 2 0.4238 20.9074496 18.62052 25.577359 +2980 994 1 -0.8476 21.72394 18.62052 28.10342 +2981 994 2 0.4238 22.540430399999998 18.62052 28.680779 +2982 994 2 0.4238 20.9074496 18.62052 28.680779 +2983 995 1 -0.8476 21.72394 18.62052 31.20684 +2984 995 2 0.4238 22.540430399999998 18.62052 31.784199 +2985 995 2 0.4238 20.9074496 18.62052 31.784199 +2986 996 1 -0.8476 21.72394 18.62052 34.31026 +2987 996 2 0.4238 22.540430399999998 18.62052 34.887619 +2988 996 2 0.4238 20.9074496 18.62052 34.887619 +2989 997 1 -0.8476 21.72394 18.62052 37.41368 +2990 997 2 0.4238 22.540430399999998 18.62052 37.991039 +2991 997 2 0.4238 20.9074496 18.62052 37.991039 +2992 998 1 -0.8476 21.72394 18.62052 40.5171 +2993 998 2 0.4238 22.540430399999998 18.62052 41.094459 +2994 998 2 0.4238 20.9074496 18.62052 41.094459 +2995 999 1 -0.8476 21.72394 18.62052 43.62052 +2996 999 2 0.4238 22.540430399999998 18.62052 44.197879 +2997 999 2 0.4238 20.9074496 18.62052 44.197879 +2998 1000 1 -0.8476 21.72394 18.62052 46.72394 +2999 1000 2 0.4238 22.540430399999998 18.62052 47.301299 +3000 1000 2 0.4238 20.9074496 18.62052 47.301299 +3001 1001 1 -0.8476 21.72394 18.62052 49.82736 +3002 1001 2 0.4238 22.540430399999998 18.62052 50.404719 +3003 1001 2 0.4238 20.9074496 18.62052 50.404719 +3004 1002 1 -0.8476 21.72394 18.62052 52.93078 +3005 1002 2 0.4238 22.540430399999998 18.62052 53.508139 +3006 1002 2 0.4238 20.9074496 18.62052 53.508139 +3007 1003 1 -0.8476 21.72394 18.62052 56.0342 +3008 1003 2 0.4238 22.540430399999998 18.62052 56.611559 +3009 1003 2 0.4238 20.9074496 18.62052 56.611559 +3010 1004 1 -0.8476 21.72394 18.62052 59.13762 +3011 1004 2 0.4238 22.540430399999998 18.62052 59.714979 +3012 1004 2 0.4238 20.9074496 18.62052 59.714979 +3013 1005 1 -0.8476 21.72394 18.62052 62.24104 +3014 1005 2 0.4238 22.540430399999998 18.62052 62.818399 +3015 1005 2 0.4238 20.9074496 18.62052 62.818399 +3016 1006 1 -0.8476 21.72394 18.62052 65.34446 +3017 1006 2 0.4238 22.540430399999998 18.62052 65.921819 +3018 1006 2 0.4238 20.9074496 18.62052 65.921819 +3019 1007 1 -0.8476 21.72394 18.62052 68.44788 +3020 1007 2 0.4238 22.540430399999998 18.62052 69.025239 +3021 1007 2 0.4238 20.9074496 18.62052 69.025239 +3022 1008 1 -0.8476 21.72394 18.62052 71.5513 +3023 1008 2 0.4238 22.540430399999998 18.62052 72.128659 +3024 1008 2 0.4238 20.9074496 18.62052 72.128659 +3025 1009 1 -0.8476 21.72394 21.72394 25.0 +3026 1009 2 0.4238 22.540430399999998 21.72394 25.577359 +3027 1009 2 0.4238 20.9074496 21.72394 25.577359 +3028 1010 1 -0.8476 21.72394 21.72394 28.10342 +3029 1010 2 0.4238 22.540430399999998 21.72394 28.680779 +3030 1010 2 0.4238 20.9074496 21.72394 28.680779 +3031 1011 1 -0.8476 21.72394 21.72394 31.20684 +3032 1011 2 0.4238 22.540430399999998 21.72394 31.784199 +3033 1011 2 0.4238 20.9074496 21.72394 31.784199 +3034 1012 1 -0.8476 21.72394 21.72394 34.31026 +3035 1012 2 0.4238 22.540430399999998 21.72394 34.887619 +3036 1012 2 0.4238 20.9074496 21.72394 34.887619 +3037 1013 1 -0.8476 21.72394 21.72394 37.41368 +3038 1013 2 0.4238 22.540430399999998 21.72394 37.991039 +3039 1013 2 0.4238 20.9074496 21.72394 37.991039 +3040 1014 1 -0.8476 21.72394 21.72394 40.5171 +3041 1014 2 0.4238 22.540430399999998 21.72394 41.094459 +3042 1014 2 0.4238 20.9074496 21.72394 41.094459 +3043 1015 1 -0.8476 21.72394 21.72394 43.62052 +3044 1015 2 0.4238 22.540430399999998 21.72394 44.197879 +3045 1015 2 0.4238 20.9074496 21.72394 44.197879 +3046 1016 1 -0.8476 21.72394 21.72394 46.72394 +3047 1016 2 0.4238 22.540430399999998 21.72394 47.301299 +3048 1016 2 0.4238 20.9074496 21.72394 47.301299 +3049 1017 1 -0.8476 21.72394 21.72394 49.82736 +3050 1017 2 0.4238 22.540430399999998 21.72394 50.404719 +3051 1017 2 0.4238 20.9074496 21.72394 50.404719 +3052 1018 1 -0.8476 21.72394 21.72394 52.93078 +3053 1018 2 0.4238 22.540430399999998 21.72394 53.508139 +3054 1018 2 0.4238 20.9074496 21.72394 53.508139 +3055 1019 1 -0.8476 21.72394 21.72394 56.0342 +3056 1019 2 0.4238 22.540430399999998 21.72394 56.611559 +3057 1019 2 0.4238 20.9074496 21.72394 56.611559 +3058 1020 1 -0.8476 21.72394 21.72394 59.13762 +3059 1020 2 0.4238 22.540430399999998 21.72394 59.714979 +3060 1020 2 0.4238 20.9074496 21.72394 59.714979 +3061 1021 1 -0.8476 21.72394 21.72394 62.24104 +3062 1021 2 0.4238 22.540430399999998 21.72394 62.818399 +3063 1021 2 0.4238 20.9074496 21.72394 62.818399 +3064 1022 1 -0.8476 21.72394 21.72394 65.34446 +3065 1022 2 0.4238 22.540430399999998 21.72394 65.921819 +3066 1022 2 0.4238 20.9074496 21.72394 65.921819 +3067 1023 1 -0.8476 21.72394 21.72394 68.44788 +3068 1023 2 0.4238 22.540430399999998 21.72394 69.025239 +3069 1023 2 0.4238 20.9074496 21.72394 69.025239 +3070 1024 1 -0.8476 21.72394 21.72394 71.5513 +3071 1024 2 0.4238 22.540430399999998 21.72394 72.128659 +3072 1024 2 0.4238 20.9074496 21.72394 72.128659 + +Bonds + +1 1 1 2 +2 1 1 3 +3 1 4 5 +4 1 4 6 +5 1 7 8 +6 1 7 9 +7 1 10 11 +8 1 10 12 +9 1 13 14 +10 1 13 15 +11 1 16 17 +12 1 16 18 +13 1 19 20 +14 1 19 21 +15 1 22 23 +16 1 22 24 +17 1 25 26 +18 1 25 27 +19 1 28 29 +20 1 28 30 +21 1 31 32 +22 1 31 33 +23 1 34 35 +24 1 34 36 +25 1 37 38 +26 1 37 39 +27 1 40 41 +28 1 40 42 +29 1 43 44 +30 1 43 45 +31 1 46 47 +32 1 46 48 +33 1 49 50 +34 1 49 51 +35 1 52 53 +36 1 52 54 +37 1 55 56 +38 1 55 57 +39 1 58 59 +40 1 58 60 +41 1 61 62 +42 1 61 63 +43 1 64 65 +44 1 64 66 +45 1 67 68 +46 1 67 69 +47 1 70 71 +48 1 70 72 +49 1 73 74 +50 1 73 75 +51 1 76 77 +52 1 76 78 +53 1 79 80 +54 1 79 81 +55 1 82 83 +56 1 82 84 +57 1 85 86 +58 1 85 87 +59 1 88 89 +60 1 88 90 +61 1 91 92 +62 1 91 93 +63 1 94 95 +64 1 94 96 +65 1 97 98 +66 1 97 99 +67 1 100 101 +68 1 100 102 +69 1 103 104 +70 1 103 105 +71 1 106 107 +72 1 106 108 +73 1 109 110 +74 1 109 111 +75 1 112 113 +76 1 112 114 +77 1 115 116 +78 1 115 117 +79 1 118 119 +80 1 118 120 +81 1 121 122 +82 1 121 123 +83 1 124 125 +84 1 124 126 +85 1 127 128 +86 1 127 129 +87 1 130 131 +88 1 130 132 +89 1 133 134 +90 1 133 135 +91 1 136 137 +92 1 136 138 +93 1 139 140 +94 1 139 141 +95 1 142 143 +96 1 142 144 +97 1 145 146 +98 1 145 147 +99 1 148 149 +100 1 148 150 +101 1 151 152 +102 1 151 153 +103 1 154 155 +104 1 154 156 +105 1 157 158 +106 1 157 159 +107 1 160 161 +108 1 160 162 +109 1 163 164 +110 1 163 165 +111 1 166 167 +112 1 166 168 +113 1 169 170 +114 1 169 171 +115 1 172 173 +116 1 172 174 +117 1 175 176 +118 1 175 177 +119 1 178 179 +120 1 178 180 +121 1 181 182 +122 1 181 183 +123 1 184 185 +124 1 184 186 +125 1 187 188 +126 1 187 189 +127 1 190 191 +128 1 190 192 +129 1 193 194 +130 1 193 195 +131 1 196 197 +132 1 196 198 +133 1 199 200 +134 1 199 201 +135 1 202 203 +136 1 202 204 +137 1 205 206 +138 1 205 207 +139 1 208 209 +140 1 208 210 +141 1 211 212 +142 1 211 213 +143 1 214 215 +144 1 214 216 +145 1 217 218 +146 1 217 219 +147 1 220 221 +148 1 220 222 +149 1 223 224 +150 1 223 225 +151 1 226 227 +152 1 226 228 +153 1 229 230 +154 1 229 231 +155 1 232 233 +156 1 232 234 +157 1 235 236 +158 1 235 237 +159 1 238 239 +160 1 238 240 +161 1 241 242 +162 1 241 243 +163 1 244 245 +164 1 244 246 +165 1 247 248 +166 1 247 249 +167 1 250 251 +168 1 250 252 +169 1 253 254 +170 1 253 255 +171 1 256 257 +172 1 256 258 +173 1 259 260 +174 1 259 261 +175 1 262 263 +176 1 262 264 +177 1 265 266 +178 1 265 267 +179 1 268 269 +180 1 268 270 +181 1 271 272 +182 1 271 273 +183 1 274 275 +184 1 274 276 +185 1 277 278 +186 1 277 279 +187 1 280 281 +188 1 280 282 +189 1 283 284 +190 1 283 285 +191 1 286 287 +192 1 286 288 +193 1 289 290 +194 1 289 291 +195 1 292 293 +196 1 292 294 +197 1 295 296 +198 1 295 297 +199 1 298 299 +200 1 298 300 +201 1 301 302 +202 1 301 303 +203 1 304 305 +204 1 304 306 +205 1 307 308 +206 1 307 309 +207 1 310 311 +208 1 310 312 +209 1 313 314 +210 1 313 315 +211 1 316 317 +212 1 316 318 +213 1 319 320 +214 1 319 321 +215 1 322 323 +216 1 322 324 +217 1 325 326 +218 1 325 327 +219 1 328 329 +220 1 328 330 +221 1 331 332 +222 1 331 333 +223 1 334 335 +224 1 334 336 +225 1 337 338 +226 1 337 339 +227 1 340 341 +228 1 340 342 +229 1 343 344 +230 1 343 345 +231 1 346 347 +232 1 346 348 +233 1 349 350 +234 1 349 351 +235 1 352 353 +236 1 352 354 +237 1 355 356 +238 1 355 357 +239 1 358 359 +240 1 358 360 +241 1 361 362 +242 1 361 363 +243 1 364 365 +244 1 364 366 +245 1 367 368 +246 1 367 369 +247 1 370 371 +248 1 370 372 +249 1 373 374 +250 1 373 375 +251 1 376 377 +252 1 376 378 +253 1 379 380 +254 1 379 381 +255 1 382 383 +256 1 382 384 +257 1 385 386 +258 1 385 387 +259 1 388 389 +260 1 388 390 +261 1 391 392 +262 1 391 393 +263 1 394 395 +264 1 394 396 +265 1 397 398 +266 1 397 399 +267 1 400 401 +268 1 400 402 +269 1 403 404 +270 1 403 405 +271 1 406 407 +272 1 406 408 +273 1 409 410 +274 1 409 411 +275 1 412 413 +276 1 412 414 +277 1 415 416 +278 1 415 417 +279 1 418 419 +280 1 418 420 +281 1 421 422 +282 1 421 423 +283 1 424 425 +284 1 424 426 +285 1 427 428 +286 1 427 429 +287 1 430 431 +288 1 430 432 +289 1 433 434 +290 1 433 435 +291 1 436 437 +292 1 436 438 +293 1 439 440 +294 1 439 441 +295 1 442 443 +296 1 442 444 +297 1 445 446 +298 1 445 447 +299 1 448 449 +300 1 448 450 +301 1 451 452 +302 1 451 453 +303 1 454 455 +304 1 454 456 +305 1 457 458 +306 1 457 459 +307 1 460 461 +308 1 460 462 +309 1 463 464 +310 1 463 465 +311 1 466 467 +312 1 466 468 +313 1 469 470 +314 1 469 471 +315 1 472 473 +316 1 472 474 +317 1 475 476 +318 1 475 477 +319 1 478 479 +320 1 478 480 +321 1 481 482 +322 1 481 483 +323 1 484 485 +324 1 484 486 +325 1 487 488 +326 1 487 489 +327 1 490 491 +328 1 490 492 +329 1 493 494 +330 1 493 495 +331 1 496 497 +332 1 496 498 +333 1 499 500 +334 1 499 501 +335 1 502 503 +336 1 502 504 +337 1 505 506 +338 1 505 507 +339 1 508 509 +340 1 508 510 +341 1 511 512 +342 1 511 513 +343 1 514 515 +344 1 514 516 +345 1 517 518 +346 1 517 519 +347 1 520 521 +348 1 520 522 +349 1 523 524 +350 1 523 525 +351 1 526 527 +352 1 526 528 +353 1 529 530 +354 1 529 531 +355 1 532 533 +356 1 532 534 +357 1 535 536 +358 1 535 537 +359 1 538 539 +360 1 538 540 +361 1 541 542 +362 1 541 543 +363 1 544 545 +364 1 544 546 +365 1 547 548 +366 1 547 549 +367 1 550 551 +368 1 550 552 +369 1 553 554 +370 1 553 555 +371 1 556 557 +372 1 556 558 +373 1 559 560 +374 1 559 561 +375 1 562 563 +376 1 562 564 +377 1 565 566 +378 1 565 567 +379 1 568 569 +380 1 568 570 +381 1 571 572 +382 1 571 573 +383 1 574 575 +384 1 574 576 +385 1 577 578 +386 1 577 579 +387 1 580 581 +388 1 580 582 +389 1 583 584 +390 1 583 585 +391 1 586 587 +392 1 586 588 +393 1 589 590 +394 1 589 591 +395 1 592 593 +396 1 592 594 +397 1 595 596 +398 1 595 597 +399 1 598 599 +400 1 598 600 +401 1 601 602 +402 1 601 603 +403 1 604 605 +404 1 604 606 +405 1 607 608 +406 1 607 609 +407 1 610 611 +408 1 610 612 +409 1 613 614 +410 1 613 615 +411 1 616 617 +412 1 616 618 +413 1 619 620 +414 1 619 621 +415 1 622 623 +416 1 622 624 +417 1 625 626 +418 1 625 627 +419 1 628 629 +420 1 628 630 +421 1 631 632 +422 1 631 633 +423 1 634 635 +424 1 634 636 +425 1 637 638 +426 1 637 639 +427 1 640 641 +428 1 640 642 +429 1 643 644 +430 1 643 645 +431 1 646 647 +432 1 646 648 +433 1 649 650 +434 1 649 651 +435 1 652 653 +436 1 652 654 +437 1 655 656 +438 1 655 657 +439 1 658 659 +440 1 658 660 +441 1 661 662 +442 1 661 663 +443 1 664 665 +444 1 664 666 +445 1 667 668 +446 1 667 669 +447 1 670 671 +448 1 670 672 +449 1 673 674 +450 1 673 675 +451 1 676 677 +452 1 676 678 +453 1 679 680 +454 1 679 681 +455 1 682 683 +456 1 682 684 +457 1 685 686 +458 1 685 687 +459 1 688 689 +460 1 688 690 +461 1 691 692 +462 1 691 693 +463 1 694 695 +464 1 694 696 +465 1 697 698 +466 1 697 699 +467 1 700 701 +468 1 700 702 +469 1 703 704 +470 1 703 705 +471 1 706 707 +472 1 706 708 +473 1 709 710 +474 1 709 711 +475 1 712 713 +476 1 712 714 +477 1 715 716 +478 1 715 717 +479 1 718 719 +480 1 718 720 +481 1 721 722 +482 1 721 723 +483 1 724 725 +484 1 724 726 +485 1 727 728 +486 1 727 729 +487 1 730 731 +488 1 730 732 +489 1 733 734 +490 1 733 735 +491 1 736 737 +492 1 736 738 +493 1 739 740 +494 1 739 741 +495 1 742 743 +496 1 742 744 +497 1 745 746 +498 1 745 747 +499 1 748 749 +500 1 748 750 +501 1 751 752 +502 1 751 753 +503 1 754 755 +504 1 754 756 +505 1 757 758 +506 1 757 759 +507 1 760 761 +508 1 760 762 +509 1 763 764 +510 1 763 765 +511 1 766 767 +512 1 766 768 +513 1 769 770 +514 1 769 771 +515 1 772 773 +516 1 772 774 +517 1 775 776 +518 1 775 777 +519 1 778 779 +520 1 778 780 +521 1 781 782 +522 1 781 783 +523 1 784 785 +524 1 784 786 +525 1 787 788 +526 1 787 789 +527 1 790 791 +528 1 790 792 +529 1 793 794 +530 1 793 795 +531 1 796 797 +532 1 796 798 +533 1 799 800 +534 1 799 801 +535 1 802 803 +536 1 802 804 +537 1 805 806 +538 1 805 807 +539 1 808 809 +540 1 808 810 +541 1 811 812 +542 1 811 813 +543 1 814 815 +544 1 814 816 +545 1 817 818 +546 1 817 819 +547 1 820 821 +548 1 820 822 +549 1 823 824 +550 1 823 825 +551 1 826 827 +552 1 826 828 +553 1 829 830 +554 1 829 831 +555 1 832 833 +556 1 832 834 +557 1 835 836 +558 1 835 837 +559 1 838 839 +560 1 838 840 +561 1 841 842 +562 1 841 843 +563 1 844 845 +564 1 844 846 +565 1 847 848 +566 1 847 849 +567 1 850 851 +568 1 850 852 +569 1 853 854 +570 1 853 855 +571 1 856 857 +572 1 856 858 +573 1 859 860 +574 1 859 861 +575 1 862 863 +576 1 862 864 +577 1 865 866 +578 1 865 867 +579 1 868 869 +580 1 868 870 +581 1 871 872 +582 1 871 873 +583 1 874 875 +584 1 874 876 +585 1 877 878 +586 1 877 879 +587 1 880 881 +588 1 880 882 +589 1 883 884 +590 1 883 885 +591 1 886 887 +592 1 886 888 +593 1 889 890 +594 1 889 891 +595 1 892 893 +596 1 892 894 +597 1 895 896 +598 1 895 897 +599 1 898 899 +600 1 898 900 +601 1 901 902 +602 1 901 903 +603 1 904 905 +604 1 904 906 +605 1 907 908 +606 1 907 909 +607 1 910 911 +608 1 910 912 +609 1 913 914 +610 1 913 915 +611 1 916 917 +612 1 916 918 +613 1 919 920 +614 1 919 921 +615 1 922 923 +616 1 922 924 +617 1 925 926 +618 1 925 927 +619 1 928 929 +620 1 928 930 +621 1 931 932 +622 1 931 933 +623 1 934 935 +624 1 934 936 +625 1 937 938 +626 1 937 939 +627 1 940 941 +628 1 940 942 +629 1 943 944 +630 1 943 945 +631 1 946 947 +632 1 946 948 +633 1 949 950 +634 1 949 951 +635 1 952 953 +636 1 952 954 +637 1 955 956 +638 1 955 957 +639 1 958 959 +640 1 958 960 +641 1 961 962 +642 1 961 963 +643 1 964 965 +644 1 964 966 +645 1 967 968 +646 1 967 969 +647 1 970 971 +648 1 970 972 +649 1 973 974 +650 1 973 975 +651 1 976 977 +652 1 976 978 +653 1 979 980 +654 1 979 981 +655 1 982 983 +656 1 982 984 +657 1 985 986 +658 1 985 987 +659 1 988 989 +660 1 988 990 +661 1 991 992 +662 1 991 993 +663 1 994 995 +664 1 994 996 +665 1 997 998 +666 1 997 999 +667 1 1000 1001 +668 1 1000 1002 +669 1 1003 1004 +670 1 1003 1005 +671 1 1006 1007 +672 1 1006 1008 +673 1 1009 1010 +674 1 1009 1011 +675 1 1012 1013 +676 1 1012 1014 +677 1 1015 1016 +678 1 1015 1017 +679 1 1018 1019 +680 1 1018 1020 +681 1 1021 1022 +682 1 1021 1023 +683 1 1024 1025 +684 1 1024 1026 +685 1 1027 1028 +686 1 1027 1029 +687 1 1030 1031 +688 1 1030 1032 +689 1 1033 1034 +690 1 1033 1035 +691 1 1036 1037 +692 1 1036 1038 +693 1 1039 1040 +694 1 1039 1041 +695 1 1042 1043 +696 1 1042 1044 +697 1 1045 1046 +698 1 1045 1047 +699 1 1048 1049 +700 1 1048 1050 +701 1 1051 1052 +702 1 1051 1053 +703 1 1054 1055 +704 1 1054 1056 +705 1 1057 1058 +706 1 1057 1059 +707 1 1060 1061 +708 1 1060 1062 +709 1 1063 1064 +710 1 1063 1065 +711 1 1066 1067 +712 1 1066 1068 +713 1 1069 1070 +714 1 1069 1071 +715 1 1072 1073 +716 1 1072 1074 +717 1 1075 1076 +718 1 1075 1077 +719 1 1078 1079 +720 1 1078 1080 +721 1 1081 1082 +722 1 1081 1083 +723 1 1084 1085 +724 1 1084 1086 +725 1 1087 1088 +726 1 1087 1089 +727 1 1090 1091 +728 1 1090 1092 +729 1 1093 1094 +730 1 1093 1095 +731 1 1096 1097 +732 1 1096 1098 +733 1 1099 1100 +734 1 1099 1101 +735 1 1102 1103 +736 1 1102 1104 +737 1 1105 1106 +738 1 1105 1107 +739 1 1108 1109 +740 1 1108 1110 +741 1 1111 1112 +742 1 1111 1113 +743 1 1114 1115 +744 1 1114 1116 +745 1 1117 1118 +746 1 1117 1119 +747 1 1120 1121 +748 1 1120 1122 +749 1 1123 1124 +750 1 1123 1125 +751 1 1126 1127 +752 1 1126 1128 +753 1 1129 1130 +754 1 1129 1131 +755 1 1132 1133 +756 1 1132 1134 +757 1 1135 1136 +758 1 1135 1137 +759 1 1138 1139 +760 1 1138 1140 +761 1 1141 1142 +762 1 1141 1143 +763 1 1144 1145 +764 1 1144 1146 +765 1 1147 1148 +766 1 1147 1149 +767 1 1150 1151 +768 1 1150 1152 +769 1 1153 1154 +770 1 1153 1155 +771 1 1156 1157 +772 1 1156 1158 +773 1 1159 1160 +774 1 1159 1161 +775 1 1162 1163 +776 1 1162 1164 +777 1 1165 1166 +778 1 1165 1167 +779 1 1168 1169 +780 1 1168 1170 +781 1 1171 1172 +782 1 1171 1173 +783 1 1174 1175 +784 1 1174 1176 +785 1 1177 1178 +786 1 1177 1179 +787 1 1180 1181 +788 1 1180 1182 +789 1 1183 1184 +790 1 1183 1185 +791 1 1186 1187 +792 1 1186 1188 +793 1 1189 1190 +794 1 1189 1191 +795 1 1192 1193 +796 1 1192 1194 +797 1 1195 1196 +798 1 1195 1197 +799 1 1198 1199 +800 1 1198 1200 +801 1 1201 1202 +802 1 1201 1203 +803 1 1204 1205 +804 1 1204 1206 +805 1 1207 1208 +806 1 1207 1209 +807 1 1210 1211 +808 1 1210 1212 +809 1 1213 1214 +810 1 1213 1215 +811 1 1216 1217 +812 1 1216 1218 +813 1 1219 1220 +814 1 1219 1221 +815 1 1222 1223 +816 1 1222 1224 +817 1 1225 1226 +818 1 1225 1227 +819 1 1228 1229 +820 1 1228 1230 +821 1 1231 1232 +822 1 1231 1233 +823 1 1234 1235 +824 1 1234 1236 +825 1 1237 1238 +826 1 1237 1239 +827 1 1240 1241 +828 1 1240 1242 +829 1 1243 1244 +830 1 1243 1245 +831 1 1246 1247 +832 1 1246 1248 +833 1 1249 1250 +834 1 1249 1251 +835 1 1252 1253 +836 1 1252 1254 +837 1 1255 1256 +838 1 1255 1257 +839 1 1258 1259 +840 1 1258 1260 +841 1 1261 1262 +842 1 1261 1263 +843 1 1264 1265 +844 1 1264 1266 +845 1 1267 1268 +846 1 1267 1269 +847 1 1270 1271 +848 1 1270 1272 +849 1 1273 1274 +850 1 1273 1275 +851 1 1276 1277 +852 1 1276 1278 +853 1 1279 1280 +854 1 1279 1281 +855 1 1282 1283 +856 1 1282 1284 +857 1 1285 1286 +858 1 1285 1287 +859 1 1288 1289 +860 1 1288 1290 +861 1 1291 1292 +862 1 1291 1293 +863 1 1294 1295 +864 1 1294 1296 +865 1 1297 1298 +866 1 1297 1299 +867 1 1300 1301 +868 1 1300 1302 +869 1 1303 1304 +870 1 1303 1305 +871 1 1306 1307 +872 1 1306 1308 +873 1 1309 1310 +874 1 1309 1311 +875 1 1312 1313 +876 1 1312 1314 +877 1 1315 1316 +878 1 1315 1317 +879 1 1318 1319 +880 1 1318 1320 +881 1 1321 1322 +882 1 1321 1323 +883 1 1324 1325 +884 1 1324 1326 +885 1 1327 1328 +886 1 1327 1329 +887 1 1330 1331 +888 1 1330 1332 +889 1 1333 1334 +890 1 1333 1335 +891 1 1336 1337 +892 1 1336 1338 +893 1 1339 1340 +894 1 1339 1341 +895 1 1342 1343 +896 1 1342 1344 +897 1 1345 1346 +898 1 1345 1347 +899 1 1348 1349 +900 1 1348 1350 +901 1 1351 1352 +902 1 1351 1353 +903 1 1354 1355 +904 1 1354 1356 +905 1 1357 1358 +906 1 1357 1359 +907 1 1360 1361 +908 1 1360 1362 +909 1 1363 1364 +910 1 1363 1365 +911 1 1366 1367 +912 1 1366 1368 +913 1 1369 1370 +914 1 1369 1371 +915 1 1372 1373 +916 1 1372 1374 +917 1 1375 1376 +918 1 1375 1377 +919 1 1378 1379 +920 1 1378 1380 +921 1 1381 1382 +922 1 1381 1383 +923 1 1384 1385 +924 1 1384 1386 +925 1 1387 1388 +926 1 1387 1389 +927 1 1390 1391 +928 1 1390 1392 +929 1 1393 1394 +930 1 1393 1395 +931 1 1396 1397 +932 1 1396 1398 +933 1 1399 1400 +934 1 1399 1401 +935 1 1402 1403 +936 1 1402 1404 +937 1 1405 1406 +938 1 1405 1407 +939 1 1408 1409 +940 1 1408 1410 +941 1 1411 1412 +942 1 1411 1413 +943 1 1414 1415 +944 1 1414 1416 +945 1 1417 1418 +946 1 1417 1419 +947 1 1420 1421 +948 1 1420 1422 +949 1 1423 1424 +950 1 1423 1425 +951 1 1426 1427 +952 1 1426 1428 +953 1 1429 1430 +954 1 1429 1431 +955 1 1432 1433 +956 1 1432 1434 +957 1 1435 1436 +958 1 1435 1437 +959 1 1438 1439 +960 1 1438 1440 +961 1 1441 1442 +962 1 1441 1443 +963 1 1444 1445 +964 1 1444 1446 +965 1 1447 1448 +966 1 1447 1449 +967 1 1450 1451 +968 1 1450 1452 +969 1 1453 1454 +970 1 1453 1455 +971 1 1456 1457 +972 1 1456 1458 +973 1 1459 1460 +974 1 1459 1461 +975 1 1462 1463 +976 1 1462 1464 +977 1 1465 1466 +978 1 1465 1467 +979 1 1468 1469 +980 1 1468 1470 +981 1 1471 1472 +982 1 1471 1473 +983 1 1474 1475 +984 1 1474 1476 +985 1 1477 1478 +986 1 1477 1479 +987 1 1480 1481 +988 1 1480 1482 +989 1 1483 1484 +990 1 1483 1485 +991 1 1486 1487 +992 1 1486 1488 +993 1 1489 1490 +994 1 1489 1491 +995 1 1492 1493 +996 1 1492 1494 +997 1 1495 1496 +998 1 1495 1497 +999 1 1498 1499 +1000 1 1498 1500 +1001 1 1501 1502 +1002 1 1501 1503 +1003 1 1504 1505 +1004 1 1504 1506 +1005 1 1507 1508 +1006 1 1507 1509 +1007 1 1510 1511 +1008 1 1510 1512 +1009 1 1513 1514 +1010 1 1513 1515 +1011 1 1516 1517 +1012 1 1516 1518 +1013 1 1519 1520 +1014 1 1519 1521 +1015 1 1522 1523 +1016 1 1522 1524 +1017 1 1525 1526 +1018 1 1525 1527 +1019 1 1528 1529 +1020 1 1528 1530 +1021 1 1531 1532 +1022 1 1531 1533 +1023 1 1534 1535 +1024 1 1534 1536 +1025 1 1537 1538 +1026 1 1537 1539 +1027 1 1540 1541 +1028 1 1540 1542 +1029 1 1543 1544 +1030 1 1543 1545 +1031 1 1546 1547 +1032 1 1546 1548 +1033 1 1549 1550 +1034 1 1549 1551 +1035 1 1552 1553 +1036 1 1552 1554 +1037 1 1555 1556 +1038 1 1555 1557 +1039 1 1558 1559 +1040 1 1558 1560 +1041 1 1561 1562 +1042 1 1561 1563 +1043 1 1564 1565 +1044 1 1564 1566 +1045 1 1567 1568 +1046 1 1567 1569 +1047 1 1570 1571 +1048 1 1570 1572 +1049 1 1573 1574 +1050 1 1573 1575 +1051 1 1576 1577 +1052 1 1576 1578 +1053 1 1579 1580 +1054 1 1579 1581 +1055 1 1582 1583 +1056 1 1582 1584 +1057 1 1585 1586 +1058 1 1585 1587 +1059 1 1588 1589 +1060 1 1588 1590 +1061 1 1591 1592 +1062 1 1591 1593 +1063 1 1594 1595 +1064 1 1594 1596 +1065 1 1597 1598 +1066 1 1597 1599 +1067 1 1600 1601 +1068 1 1600 1602 +1069 1 1603 1604 +1070 1 1603 1605 +1071 1 1606 1607 +1072 1 1606 1608 +1073 1 1609 1610 +1074 1 1609 1611 +1075 1 1612 1613 +1076 1 1612 1614 +1077 1 1615 1616 +1078 1 1615 1617 +1079 1 1618 1619 +1080 1 1618 1620 +1081 1 1621 1622 +1082 1 1621 1623 +1083 1 1624 1625 +1084 1 1624 1626 +1085 1 1627 1628 +1086 1 1627 1629 +1087 1 1630 1631 +1088 1 1630 1632 +1089 1 1633 1634 +1090 1 1633 1635 +1091 1 1636 1637 +1092 1 1636 1638 +1093 1 1639 1640 +1094 1 1639 1641 +1095 1 1642 1643 +1096 1 1642 1644 +1097 1 1645 1646 +1098 1 1645 1647 +1099 1 1648 1649 +1100 1 1648 1650 +1101 1 1651 1652 +1102 1 1651 1653 +1103 1 1654 1655 +1104 1 1654 1656 +1105 1 1657 1658 +1106 1 1657 1659 +1107 1 1660 1661 +1108 1 1660 1662 +1109 1 1663 1664 +1110 1 1663 1665 +1111 1 1666 1667 +1112 1 1666 1668 +1113 1 1669 1670 +1114 1 1669 1671 +1115 1 1672 1673 +1116 1 1672 1674 +1117 1 1675 1676 +1118 1 1675 1677 +1119 1 1678 1679 +1120 1 1678 1680 +1121 1 1681 1682 +1122 1 1681 1683 +1123 1 1684 1685 +1124 1 1684 1686 +1125 1 1687 1688 +1126 1 1687 1689 +1127 1 1690 1691 +1128 1 1690 1692 +1129 1 1693 1694 +1130 1 1693 1695 +1131 1 1696 1697 +1132 1 1696 1698 +1133 1 1699 1700 +1134 1 1699 1701 +1135 1 1702 1703 +1136 1 1702 1704 +1137 1 1705 1706 +1138 1 1705 1707 +1139 1 1708 1709 +1140 1 1708 1710 +1141 1 1711 1712 +1142 1 1711 1713 +1143 1 1714 1715 +1144 1 1714 1716 +1145 1 1717 1718 +1146 1 1717 1719 +1147 1 1720 1721 +1148 1 1720 1722 +1149 1 1723 1724 +1150 1 1723 1725 +1151 1 1726 1727 +1152 1 1726 1728 +1153 1 1729 1730 +1154 1 1729 1731 +1155 1 1732 1733 +1156 1 1732 1734 +1157 1 1735 1736 +1158 1 1735 1737 +1159 1 1738 1739 +1160 1 1738 1740 +1161 1 1741 1742 +1162 1 1741 1743 +1163 1 1744 1745 +1164 1 1744 1746 +1165 1 1747 1748 +1166 1 1747 1749 +1167 1 1750 1751 +1168 1 1750 1752 +1169 1 1753 1754 +1170 1 1753 1755 +1171 1 1756 1757 +1172 1 1756 1758 +1173 1 1759 1760 +1174 1 1759 1761 +1175 1 1762 1763 +1176 1 1762 1764 +1177 1 1765 1766 +1178 1 1765 1767 +1179 1 1768 1769 +1180 1 1768 1770 +1181 1 1771 1772 +1182 1 1771 1773 +1183 1 1774 1775 +1184 1 1774 1776 +1185 1 1777 1778 +1186 1 1777 1779 +1187 1 1780 1781 +1188 1 1780 1782 +1189 1 1783 1784 +1190 1 1783 1785 +1191 1 1786 1787 +1192 1 1786 1788 +1193 1 1789 1790 +1194 1 1789 1791 +1195 1 1792 1793 +1196 1 1792 1794 +1197 1 1795 1796 +1198 1 1795 1797 +1199 1 1798 1799 +1200 1 1798 1800 +1201 1 1801 1802 +1202 1 1801 1803 +1203 1 1804 1805 +1204 1 1804 1806 +1205 1 1807 1808 +1206 1 1807 1809 +1207 1 1810 1811 +1208 1 1810 1812 +1209 1 1813 1814 +1210 1 1813 1815 +1211 1 1816 1817 +1212 1 1816 1818 +1213 1 1819 1820 +1214 1 1819 1821 +1215 1 1822 1823 +1216 1 1822 1824 +1217 1 1825 1826 +1218 1 1825 1827 +1219 1 1828 1829 +1220 1 1828 1830 +1221 1 1831 1832 +1222 1 1831 1833 +1223 1 1834 1835 +1224 1 1834 1836 +1225 1 1837 1838 +1226 1 1837 1839 +1227 1 1840 1841 +1228 1 1840 1842 +1229 1 1843 1844 +1230 1 1843 1845 +1231 1 1846 1847 +1232 1 1846 1848 +1233 1 1849 1850 +1234 1 1849 1851 +1235 1 1852 1853 +1236 1 1852 1854 +1237 1 1855 1856 +1238 1 1855 1857 +1239 1 1858 1859 +1240 1 1858 1860 +1241 1 1861 1862 +1242 1 1861 1863 +1243 1 1864 1865 +1244 1 1864 1866 +1245 1 1867 1868 +1246 1 1867 1869 +1247 1 1870 1871 +1248 1 1870 1872 +1249 1 1873 1874 +1250 1 1873 1875 +1251 1 1876 1877 +1252 1 1876 1878 +1253 1 1879 1880 +1254 1 1879 1881 +1255 1 1882 1883 +1256 1 1882 1884 +1257 1 1885 1886 +1258 1 1885 1887 +1259 1 1888 1889 +1260 1 1888 1890 +1261 1 1891 1892 +1262 1 1891 1893 +1263 1 1894 1895 +1264 1 1894 1896 +1265 1 1897 1898 +1266 1 1897 1899 +1267 1 1900 1901 +1268 1 1900 1902 +1269 1 1903 1904 +1270 1 1903 1905 +1271 1 1906 1907 +1272 1 1906 1908 +1273 1 1909 1910 +1274 1 1909 1911 +1275 1 1912 1913 +1276 1 1912 1914 +1277 1 1915 1916 +1278 1 1915 1917 +1279 1 1918 1919 +1280 1 1918 1920 +1281 1 1921 1922 +1282 1 1921 1923 +1283 1 1924 1925 +1284 1 1924 1926 +1285 1 1927 1928 +1286 1 1927 1929 +1287 1 1930 1931 +1288 1 1930 1932 +1289 1 1933 1934 +1290 1 1933 1935 +1291 1 1936 1937 +1292 1 1936 1938 +1293 1 1939 1940 +1294 1 1939 1941 +1295 1 1942 1943 +1296 1 1942 1944 +1297 1 1945 1946 +1298 1 1945 1947 +1299 1 1948 1949 +1300 1 1948 1950 +1301 1 1951 1952 +1302 1 1951 1953 +1303 1 1954 1955 +1304 1 1954 1956 +1305 1 1957 1958 +1306 1 1957 1959 +1307 1 1960 1961 +1308 1 1960 1962 +1309 1 1963 1964 +1310 1 1963 1965 +1311 1 1966 1967 +1312 1 1966 1968 +1313 1 1969 1970 +1314 1 1969 1971 +1315 1 1972 1973 +1316 1 1972 1974 +1317 1 1975 1976 +1318 1 1975 1977 +1319 1 1978 1979 +1320 1 1978 1980 +1321 1 1981 1982 +1322 1 1981 1983 +1323 1 1984 1985 +1324 1 1984 1986 +1325 1 1987 1988 +1326 1 1987 1989 +1327 1 1990 1991 +1328 1 1990 1992 +1329 1 1993 1994 +1330 1 1993 1995 +1331 1 1996 1997 +1332 1 1996 1998 +1333 1 1999 2000 +1334 1 1999 2001 +1335 1 2002 2003 +1336 1 2002 2004 +1337 1 2005 2006 +1338 1 2005 2007 +1339 1 2008 2009 +1340 1 2008 2010 +1341 1 2011 2012 +1342 1 2011 2013 +1343 1 2014 2015 +1344 1 2014 2016 +1345 1 2017 2018 +1346 1 2017 2019 +1347 1 2020 2021 +1348 1 2020 2022 +1349 1 2023 2024 +1350 1 2023 2025 +1351 1 2026 2027 +1352 1 2026 2028 +1353 1 2029 2030 +1354 1 2029 2031 +1355 1 2032 2033 +1356 1 2032 2034 +1357 1 2035 2036 +1358 1 2035 2037 +1359 1 2038 2039 +1360 1 2038 2040 +1361 1 2041 2042 +1362 1 2041 2043 +1363 1 2044 2045 +1364 1 2044 2046 +1365 1 2047 2048 +1366 1 2047 2049 +1367 1 2050 2051 +1368 1 2050 2052 +1369 1 2053 2054 +1370 1 2053 2055 +1371 1 2056 2057 +1372 1 2056 2058 +1373 1 2059 2060 +1374 1 2059 2061 +1375 1 2062 2063 +1376 1 2062 2064 +1377 1 2065 2066 +1378 1 2065 2067 +1379 1 2068 2069 +1380 1 2068 2070 +1381 1 2071 2072 +1382 1 2071 2073 +1383 1 2074 2075 +1384 1 2074 2076 +1385 1 2077 2078 +1386 1 2077 2079 +1387 1 2080 2081 +1388 1 2080 2082 +1389 1 2083 2084 +1390 1 2083 2085 +1391 1 2086 2087 +1392 1 2086 2088 +1393 1 2089 2090 +1394 1 2089 2091 +1395 1 2092 2093 +1396 1 2092 2094 +1397 1 2095 2096 +1398 1 2095 2097 +1399 1 2098 2099 +1400 1 2098 2100 +1401 1 2101 2102 +1402 1 2101 2103 +1403 1 2104 2105 +1404 1 2104 2106 +1405 1 2107 2108 +1406 1 2107 2109 +1407 1 2110 2111 +1408 1 2110 2112 +1409 1 2113 2114 +1410 1 2113 2115 +1411 1 2116 2117 +1412 1 2116 2118 +1413 1 2119 2120 +1414 1 2119 2121 +1415 1 2122 2123 +1416 1 2122 2124 +1417 1 2125 2126 +1418 1 2125 2127 +1419 1 2128 2129 +1420 1 2128 2130 +1421 1 2131 2132 +1422 1 2131 2133 +1423 1 2134 2135 +1424 1 2134 2136 +1425 1 2137 2138 +1426 1 2137 2139 +1427 1 2140 2141 +1428 1 2140 2142 +1429 1 2143 2144 +1430 1 2143 2145 +1431 1 2146 2147 +1432 1 2146 2148 +1433 1 2149 2150 +1434 1 2149 2151 +1435 1 2152 2153 +1436 1 2152 2154 +1437 1 2155 2156 +1438 1 2155 2157 +1439 1 2158 2159 +1440 1 2158 2160 +1441 1 2161 2162 +1442 1 2161 2163 +1443 1 2164 2165 +1444 1 2164 2166 +1445 1 2167 2168 +1446 1 2167 2169 +1447 1 2170 2171 +1448 1 2170 2172 +1449 1 2173 2174 +1450 1 2173 2175 +1451 1 2176 2177 +1452 1 2176 2178 +1453 1 2179 2180 +1454 1 2179 2181 +1455 1 2182 2183 +1456 1 2182 2184 +1457 1 2185 2186 +1458 1 2185 2187 +1459 1 2188 2189 +1460 1 2188 2190 +1461 1 2191 2192 +1462 1 2191 2193 +1463 1 2194 2195 +1464 1 2194 2196 +1465 1 2197 2198 +1466 1 2197 2199 +1467 1 2200 2201 +1468 1 2200 2202 +1469 1 2203 2204 +1470 1 2203 2205 +1471 1 2206 2207 +1472 1 2206 2208 +1473 1 2209 2210 +1474 1 2209 2211 +1475 1 2212 2213 +1476 1 2212 2214 +1477 1 2215 2216 +1478 1 2215 2217 +1479 1 2218 2219 +1480 1 2218 2220 +1481 1 2221 2222 +1482 1 2221 2223 +1483 1 2224 2225 +1484 1 2224 2226 +1485 1 2227 2228 +1486 1 2227 2229 +1487 1 2230 2231 +1488 1 2230 2232 +1489 1 2233 2234 +1490 1 2233 2235 +1491 1 2236 2237 +1492 1 2236 2238 +1493 1 2239 2240 +1494 1 2239 2241 +1495 1 2242 2243 +1496 1 2242 2244 +1497 1 2245 2246 +1498 1 2245 2247 +1499 1 2248 2249 +1500 1 2248 2250 +1501 1 2251 2252 +1502 1 2251 2253 +1503 1 2254 2255 +1504 1 2254 2256 +1505 1 2257 2258 +1506 1 2257 2259 +1507 1 2260 2261 +1508 1 2260 2262 +1509 1 2263 2264 +1510 1 2263 2265 +1511 1 2266 2267 +1512 1 2266 2268 +1513 1 2269 2270 +1514 1 2269 2271 +1515 1 2272 2273 +1516 1 2272 2274 +1517 1 2275 2276 +1518 1 2275 2277 +1519 1 2278 2279 +1520 1 2278 2280 +1521 1 2281 2282 +1522 1 2281 2283 +1523 1 2284 2285 +1524 1 2284 2286 +1525 1 2287 2288 +1526 1 2287 2289 +1527 1 2290 2291 +1528 1 2290 2292 +1529 1 2293 2294 +1530 1 2293 2295 +1531 1 2296 2297 +1532 1 2296 2298 +1533 1 2299 2300 +1534 1 2299 2301 +1535 1 2302 2303 +1536 1 2302 2304 +1537 1 2305 2306 +1538 1 2305 2307 +1539 1 2308 2309 +1540 1 2308 2310 +1541 1 2311 2312 +1542 1 2311 2313 +1543 1 2314 2315 +1544 1 2314 2316 +1545 1 2317 2318 +1546 1 2317 2319 +1547 1 2320 2321 +1548 1 2320 2322 +1549 1 2323 2324 +1550 1 2323 2325 +1551 1 2326 2327 +1552 1 2326 2328 +1553 1 2329 2330 +1554 1 2329 2331 +1555 1 2332 2333 +1556 1 2332 2334 +1557 1 2335 2336 +1558 1 2335 2337 +1559 1 2338 2339 +1560 1 2338 2340 +1561 1 2341 2342 +1562 1 2341 2343 +1563 1 2344 2345 +1564 1 2344 2346 +1565 1 2347 2348 +1566 1 2347 2349 +1567 1 2350 2351 +1568 1 2350 2352 +1569 1 2353 2354 +1570 1 2353 2355 +1571 1 2356 2357 +1572 1 2356 2358 +1573 1 2359 2360 +1574 1 2359 2361 +1575 1 2362 2363 +1576 1 2362 2364 +1577 1 2365 2366 +1578 1 2365 2367 +1579 1 2368 2369 +1580 1 2368 2370 +1581 1 2371 2372 +1582 1 2371 2373 +1583 1 2374 2375 +1584 1 2374 2376 +1585 1 2377 2378 +1586 1 2377 2379 +1587 1 2380 2381 +1588 1 2380 2382 +1589 1 2383 2384 +1590 1 2383 2385 +1591 1 2386 2387 +1592 1 2386 2388 +1593 1 2389 2390 +1594 1 2389 2391 +1595 1 2392 2393 +1596 1 2392 2394 +1597 1 2395 2396 +1598 1 2395 2397 +1599 1 2398 2399 +1600 1 2398 2400 +1601 1 2401 2402 +1602 1 2401 2403 +1603 1 2404 2405 +1604 1 2404 2406 +1605 1 2407 2408 +1606 1 2407 2409 +1607 1 2410 2411 +1608 1 2410 2412 +1609 1 2413 2414 +1610 1 2413 2415 +1611 1 2416 2417 +1612 1 2416 2418 +1613 1 2419 2420 +1614 1 2419 2421 +1615 1 2422 2423 +1616 1 2422 2424 +1617 1 2425 2426 +1618 1 2425 2427 +1619 1 2428 2429 +1620 1 2428 2430 +1621 1 2431 2432 +1622 1 2431 2433 +1623 1 2434 2435 +1624 1 2434 2436 +1625 1 2437 2438 +1626 1 2437 2439 +1627 1 2440 2441 +1628 1 2440 2442 +1629 1 2443 2444 +1630 1 2443 2445 +1631 1 2446 2447 +1632 1 2446 2448 +1633 1 2449 2450 +1634 1 2449 2451 +1635 1 2452 2453 +1636 1 2452 2454 +1637 1 2455 2456 +1638 1 2455 2457 +1639 1 2458 2459 +1640 1 2458 2460 +1641 1 2461 2462 +1642 1 2461 2463 +1643 1 2464 2465 +1644 1 2464 2466 +1645 1 2467 2468 +1646 1 2467 2469 +1647 1 2470 2471 +1648 1 2470 2472 +1649 1 2473 2474 +1650 1 2473 2475 +1651 1 2476 2477 +1652 1 2476 2478 +1653 1 2479 2480 +1654 1 2479 2481 +1655 1 2482 2483 +1656 1 2482 2484 +1657 1 2485 2486 +1658 1 2485 2487 +1659 1 2488 2489 +1660 1 2488 2490 +1661 1 2491 2492 +1662 1 2491 2493 +1663 1 2494 2495 +1664 1 2494 2496 +1665 1 2497 2498 +1666 1 2497 2499 +1667 1 2500 2501 +1668 1 2500 2502 +1669 1 2503 2504 +1670 1 2503 2505 +1671 1 2506 2507 +1672 1 2506 2508 +1673 1 2509 2510 +1674 1 2509 2511 +1675 1 2512 2513 +1676 1 2512 2514 +1677 1 2515 2516 +1678 1 2515 2517 +1679 1 2518 2519 +1680 1 2518 2520 +1681 1 2521 2522 +1682 1 2521 2523 +1683 1 2524 2525 +1684 1 2524 2526 +1685 1 2527 2528 +1686 1 2527 2529 +1687 1 2530 2531 +1688 1 2530 2532 +1689 1 2533 2534 +1690 1 2533 2535 +1691 1 2536 2537 +1692 1 2536 2538 +1693 1 2539 2540 +1694 1 2539 2541 +1695 1 2542 2543 +1696 1 2542 2544 +1697 1 2545 2546 +1698 1 2545 2547 +1699 1 2548 2549 +1700 1 2548 2550 +1701 1 2551 2552 +1702 1 2551 2553 +1703 1 2554 2555 +1704 1 2554 2556 +1705 1 2557 2558 +1706 1 2557 2559 +1707 1 2560 2561 +1708 1 2560 2562 +1709 1 2563 2564 +1710 1 2563 2565 +1711 1 2566 2567 +1712 1 2566 2568 +1713 1 2569 2570 +1714 1 2569 2571 +1715 1 2572 2573 +1716 1 2572 2574 +1717 1 2575 2576 +1718 1 2575 2577 +1719 1 2578 2579 +1720 1 2578 2580 +1721 1 2581 2582 +1722 1 2581 2583 +1723 1 2584 2585 +1724 1 2584 2586 +1725 1 2587 2588 +1726 1 2587 2589 +1727 1 2590 2591 +1728 1 2590 2592 +1729 1 2593 2594 +1730 1 2593 2595 +1731 1 2596 2597 +1732 1 2596 2598 +1733 1 2599 2600 +1734 1 2599 2601 +1735 1 2602 2603 +1736 1 2602 2604 +1737 1 2605 2606 +1738 1 2605 2607 +1739 1 2608 2609 +1740 1 2608 2610 +1741 1 2611 2612 +1742 1 2611 2613 +1743 1 2614 2615 +1744 1 2614 2616 +1745 1 2617 2618 +1746 1 2617 2619 +1747 1 2620 2621 +1748 1 2620 2622 +1749 1 2623 2624 +1750 1 2623 2625 +1751 1 2626 2627 +1752 1 2626 2628 +1753 1 2629 2630 +1754 1 2629 2631 +1755 1 2632 2633 +1756 1 2632 2634 +1757 1 2635 2636 +1758 1 2635 2637 +1759 1 2638 2639 +1760 1 2638 2640 +1761 1 2641 2642 +1762 1 2641 2643 +1763 1 2644 2645 +1764 1 2644 2646 +1765 1 2647 2648 +1766 1 2647 2649 +1767 1 2650 2651 +1768 1 2650 2652 +1769 1 2653 2654 +1770 1 2653 2655 +1771 1 2656 2657 +1772 1 2656 2658 +1773 1 2659 2660 +1774 1 2659 2661 +1775 1 2662 2663 +1776 1 2662 2664 +1777 1 2665 2666 +1778 1 2665 2667 +1779 1 2668 2669 +1780 1 2668 2670 +1781 1 2671 2672 +1782 1 2671 2673 +1783 1 2674 2675 +1784 1 2674 2676 +1785 1 2677 2678 +1786 1 2677 2679 +1787 1 2680 2681 +1788 1 2680 2682 +1789 1 2683 2684 +1790 1 2683 2685 +1791 1 2686 2687 +1792 1 2686 2688 +1793 1 2689 2690 +1794 1 2689 2691 +1795 1 2692 2693 +1796 1 2692 2694 +1797 1 2695 2696 +1798 1 2695 2697 +1799 1 2698 2699 +1800 1 2698 2700 +1801 1 2701 2702 +1802 1 2701 2703 +1803 1 2704 2705 +1804 1 2704 2706 +1805 1 2707 2708 +1806 1 2707 2709 +1807 1 2710 2711 +1808 1 2710 2712 +1809 1 2713 2714 +1810 1 2713 2715 +1811 1 2716 2717 +1812 1 2716 2718 +1813 1 2719 2720 +1814 1 2719 2721 +1815 1 2722 2723 +1816 1 2722 2724 +1817 1 2725 2726 +1818 1 2725 2727 +1819 1 2728 2729 +1820 1 2728 2730 +1821 1 2731 2732 +1822 1 2731 2733 +1823 1 2734 2735 +1824 1 2734 2736 +1825 1 2737 2738 +1826 1 2737 2739 +1827 1 2740 2741 +1828 1 2740 2742 +1829 1 2743 2744 +1830 1 2743 2745 +1831 1 2746 2747 +1832 1 2746 2748 +1833 1 2749 2750 +1834 1 2749 2751 +1835 1 2752 2753 +1836 1 2752 2754 +1837 1 2755 2756 +1838 1 2755 2757 +1839 1 2758 2759 +1840 1 2758 2760 +1841 1 2761 2762 +1842 1 2761 2763 +1843 1 2764 2765 +1844 1 2764 2766 +1845 1 2767 2768 +1846 1 2767 2769 +1847 1 2770 2771 +1848 1 2770 2772 +1849 1 2773 2774 +1850 1 2773 2775 +1851 1 2776 2777 +1852 1 2776 2778 +1853 1 2779 2780 +1854 1 2779 2781 +1855 1 2782 2783 +1856 1 2782 2784 +1857 1 2785 2786 +1858 1 2785 2787 +1859 1 2788 2789 +1860 1 2788 2790 +1861 1 2791 2792 +1862 1 2791 2793 +1863 1 2794 2795 +1864 1 2794 2796 +1865 1 2797 2798 +1866 1 2797 2799 +1867 1 2800 2801 +1868 1 2800 2802 +1869 1 2803 2804 +1870 1 2803 2805 +1871 1 2806 2807 +1872 1 2806 2808 +1873 1 2809 2810 +1874 1 2809 2811 +1875 1 2812 2813 +1876 1 2812 2814 +1877 1 2815 2816 +1878 1 2815 2817 +1879 1 2818 2819 +1880 1 2818 2820 +1881 1 2821 2822 +1882 1 2821 2823 +1883 1 2824 2825 +1884 1 2824 2826 +1885 1 2827 2828 +1886 1 2827 2829 +1887 1 2830 2831 +1888 1 2830 2832 +1889 1 2833 2834 +1890 1 2833 2835 +1891 1 2836 2837 +1892 1 2836 2838 +1893 1 2839 2840 +1894 1 2839 2841 +1895 1 2842 2843 +1896 1 2842 2844 +1897 1 2845 2846 +1898 1 2845 2847 +1899 1 2848 2849 +1900 1 2848 2850 +1901 1 2851 2852 +1902 1 2851 2853 +1903 1 2854 2855 +1904 1 2854 2856 +1905 1 2857 2858 +1906 1 2857 2859 +1907 1 2860 2861 +1908 1 2860 2862 +1909 1 2863 2864 +1910 1 2863 2865 +1911 1 2866 2867 +1912 1 2866 2868 +1913 1 2869 2870 +1914 1 2869 2871 +1915 1 2872 2873 +1916 1 2872 2874 +1917 1 2875 2876 +1918 1 2875 2877 +1919 1 2878 2879 +1920 1 2878 2880 +1921 1 2881 2882 +1922 1 2881 2883 +1923 1 2884 2885 +1924 1 2884 2886 +1925 1 2887 2888 +1926 1 2887 2889 +1927 1 2890 2891 +1928 1 2890 2892 +1929 1 2893 2894 +1930 1 2893 2895 +1931 1 2896 2897 +1932 1 2896 2898 +1933 1 2899 2900 +1934 1 2899 2901 +1935 1 2902 2903 +1936 1 2902 2904 +1937 1 2905 2906 +1938 1 2905 2907 +1939 1 2908 2909 +1940 1 2908 2910 +1941 1 2911 2912 +1942 1 2911 2913 +1943 1 2914 2915 +1944 1 2914 2916 +1945 1 2917 2918 +1946 1 2917 2919 +1947 1 2920 2921 +1948 1 2920 2922 +1949 1 2923 2924 +1950 1 2923 2925 +1951 1 2926 2927 +1952 1 2926 2928 +1953 1 2929 2930 +1954 1 2929 2931 +1955 1 2932 2933 +1956 1 2932 2934 +1957 1 2935 2936 +1958 1 2935 2937 +1959 1 2938 2939 +1960 1 2938 2940 +1961 1 2941 2942 +1962 1 2941 2943 +1963 1 2944 2945 +1964 1 2944 2946 +1965 1 2947 2948 +1966 1 2947 2949 +1967 1 2950 2951 +1968 1 2950 2952 +1969 1 2953 2954 +1970 1 2953 2955 +1971 1 2956 2957 +1972 1 2956 2958 +1973 1 2959 2960 +1974 1 2959 2961 +1975 1 2962 2963 +1976 1 2962 2964 +1977 1 2965 2966 +1978 1 2965 2967 +1979 1 2968 2969 +1980 1 2968 2970 +1981 1 2971 2972 +1982 1 2971 2973 +1983 1 2974 2975 +1984 1 2974 2976 +1985 1 2977 2978 +1986 1 2977 2979 +1987 1 2980 2981 +1988 1 2980 2982 +1989 1 2983 2984 +1990 1 2983 2985 +1991 1 2986 2987 +1992 1 2986 2988 +1993 1 2989 2990 +1994 1 2989 2991 +1995 1 2992 2993 +1996 1 2992 2994 +1997 1 2995 2996 +1998 1 2995 2997 +1999 1 2998 2999 +2000 1 2998 3000 +2001 1 3001 3002 +2002 1 3001 3003 +2003 1 3004 3005 +2004 1 3004 3006 +2005 1 3007 3008 +2006 1 3007 3009 +2007 1 3010 3011 +2008 1 3010 3012 +2009 1 3013 3014 +2010 1 3013 3015 +2011 1 3016 3017 +2012 1 3016 3018 +2013 1 3019 3020 +2014 1 3019 3021 +2015 1 3022 3023 +2016 1 3022 3024 +2017 1 3025 3026 +2018 1 3025 3027 +2019 1 3028 3029 +2020 1 3028 3030 +2021 1 3031 3032 +2022 1 3031 3033 +2023 1 3034 3035 +2024 1 3034 3036 +2025 1 3037 3038 +2026 1 3037 3039 +2027 1 3040 3041 +2028 1 3040 3042 +2029 1 3043 3044 +2030 1 3043 3045 +2031 1 3046 3047 +2032 1 3046 3048 +2033 1 3049 3050 +2034 1 3049 3051 +2035 1 3052 3053 +2036 1 3052 3054 +2037 1 3055 3056 +2038 1 3055 3057 +2039 1 3058 3059 +2040 1 3058 3060 +2041 1 3061 3062 +2042 1 3061 3063 +2043 1 3064 3065 +2044 1 3064 3066 +2045 1 3067 3068 +2046 1 3067 3069 +2047 1 3070 3071 +2048 1 3070 3072 + +Angles + +1 1 2 1 3 +2 1 5 4 6 +3 1 8 7 9 +4 1 11 10 12 +5 1 14 13 15 +6 1 17 16 18 +7 1 20 19 21 +8 1 23 22 24 +9 1 26 25 27 +10 1 29 28 30 +11 1 32 31 33 +12 1 35 34 36 +13 1 38 37 39 +14 1 41 40 42 +15 1 44 43 45 +16 1 47 46 48 +17 1 50 49 51 +18 1 53 52 54 +19 1 56 55 57 +20 1 59 58 60 +21 1 62 61 63 +22 1 65 64 66 +23 1 68 67 69 +24 1 71 70 72 +25 1 74 73 75 +26 1 77 76 78 +27 1 80 79 81 +28 1 83 82 84 +29 1 86 85 87 +30 1 89 88 90 +31 1 92 91 93 +32 1 95 94 96 +33 1 98 97 99 +34 1 101 100 102 +35 1 104 103 105 +36 1 107 106 108 +37 1 110 109 111 +38 1 113 112 114 +39 1 116 115 117 +40 1 119 118 120 +41 1 122 121 123 +42 1 125 124 126 +43 1 128 127 129 +44 1 131 130 132 +45 1 134 133 135 +46 1 137 136 138 +47 1 140 139 141 +48 1 143 142 144 +49 1 146 145 147 +50 1 149 148 150 +51 1 152 151 153 +52 1 155 154 156 +53 1 158 157 159 +54 1 161 160 162 +55 1 164 163 165 +56 1 167 166 168 +57 1 170 169 171 +58 1 173 172 174 +59 1 176 175 177 +60 1 179 178 180 +61 1 182 181 183 +62 1 185 184 186 +63 1 188 187 189 +64 1 191 190 192 +65 1 194 193 195 +66 1 197 196 198 +67 1 200 199 201 +68 1 203 202 204 +69 1 206 205 207 +70 1 209 208 210 +71 1 212 211 213 +72 1 215 214 216 +73 1 218 217 219 +74 1 221 220 222 +75 1 224 223 225 +76 1 227 226 228 +77 1 230 229 231 +78 1 233 232 234 +79 1 236 235 237 +80 1 239 238 240 +81 1 242 241 243 +82 1 245 244 246 +83 1 248 247 249 +84 1 251 250 252 +85 1 254 253 255 +86 1 257 256 258 +87 1 260 259 261 +88 1 263 262 264 +89 1 266 265 267 +90 1 269 268 270 +91 1 272 271 273 +92 1 275 274 276 +93 1 278 277 279 +94 1 281 280 282 +95 1 284 283 285 +96 1 287 286 288 +97 1 290 289 291 +98 1 293 292 294 +99 1 296 295 297 +100 1 299 298 300 +101 1 302 301 303 +102 1 305 304 306 +103 1 308 307 309 +104 1 311 310 312 +105 1 314 313 315 +106 1 317 316 318 +107 1 320 319 321 +108 1 323 322 324 +109 1 326 325 327 +110 1 329 328 330 +111 1 332 331 333 +112 1 335 334 336 +113 1 338 337 339 +114 1 341 340 342 +115 1 344 343 345 +116 1 347 346 348 +117 1 350 349 351 +118 1 353 352 354 +119 1 356 355 357 +120 1 359 358 360 +121 1 362 361 363 +122 1 365 364 366 +123 1 368 367 369 +124 1 371 370 372 +125 1 374 373 375 +126 1 377 376 378 +127 1 380 379 381 +128 1 383 382 384 +129 1 386 385 387 +130 1 389 388 390 +131 1 392 391 393 +132 1 395 394 396 +133 1 398 397 399 +134 1 401 400 402 +135 1 404 403 405 +136 1 407 406 408 +137 1 410 409 411 +138 1 413 412 414 +139 1 416 415 417 +140 1 419 418 420 +141 1 422 421 423 +142 1 425 424 426 +143 1 428 427 429 +144 1 431 430 432 +145 1 434 433 435 +146 1 437 436 438 +147 1 440 439 441 +148 1 443 442 444 +149 1 446 445 447 +150 1 449 448 450 +151 1 452 451 453 +152 1 455 454 456 +153 1 458 457 459 +154 1 461 460 462 +155 1 464 463 465 +156 1 467 466 468 +157 1 470 469 471 +158 1 473 472 474 +159 1 476 475 477 +160 1 479 478 480 +161 1 482 481 483 +162 1 485 484 486 +163 1 488 487 489 +164 1 491 490 492 +165 1 494 493 495 +166 1 497 496 498 +167 1 500 499 501 +168 1 503 502 504 +169 1 506 505 507 +170 1 509 508 510 +171 1 512 511 513 +172 1 515 514 516 +173 1 518 517 519 +174 1 521 520 522 +175 1 524 523 525 +176 1 527 526 528 +177 1 530 529 531 +178 1 533 532 534 +179 1 536 535 537 +180 1 539 538 540 +181 1 542 541 543 +182 1 545 544 546 +183 1 548 547 549 +184 1 551 550 552 +185 1 554 553 555 +186 1 557 556 558 +187 1 560 559 561 +188 1 563 562 564 +189 1 566 565 567 +190 1 569 568 570 +191 1 572 571 573 +192 1 575 574 576 +193 1 578 577 579 +194 1 581 580 582 +195 1 584 583 585 +196 1 587 586 588 +197 1 590 589 591 +198 1 593 592 594 +199 1 596 595 597 +200 1 599 598 600 +201 1 602 601 603 +202 1 605 604 606 +203 1 608 607 609 +204 1 611 610 612 +205 1 614 613 615 +206 1 617 616 618 +207 1 620 619 621 +208 1 623 622 624 +209 1 626 625 627 +210 1 629 628 630 +211 1 632 631 633 +212 1 635 634 636 +213 1 638 637 639 +214 1 641 640 642 +215 1 644 643 645 +216 1 647 646 648 +217 1 650 649 651 +218 1 653 652 654 +219 1 656 655 657 +220 1 659 658 660 +221 1 662 661 663 +222 1 665 664 666 +223 1 668 667 669 +224 1 671 670 672 +225 1 674 673 675 +226 1 677 676 678 +227 1 680 679 681 +228 1 683 682 684 +229 1 686 685 687 +230 1 689 688 690 +231 1 692 691 693 +232 1 695 694 696 +233 1 698 697 699 +234 1 701 700 702 +235 1 704 703 705 +236 1 707 706 708 +237 1 710 709 711 +238 1 713 712 714 +239 1 716 715 717 +240 1 719 718 720 +241 1 722 721 723 +242 1 725 724 726 +243 1 728 727 729 +244 1 731 730 732 +245 1 734 733 735 +246 1 737 736 738 +247 1 740 739 741 +248 1 743 742 744 +249 1 746 745 747 +250 1 749 748 750 +251 1 752 751 753 +252 1 755 754 756 +253 1 758 757 759 +254 1 761 760 762 +255 1 764 763 765 +256 1 767 766 768 +257 1 770 769 771 +258 1 773 772 774 +259 1 776 775 777 +260 1 779 778 780 +261 1 782 781 783 +262 1 785 784 786 +263 1 788 787 789 +264 1 791 790 792 +265 1 794 793 795 +266 1 797 796 798 +267 1 800 799 801 +268 1 803 802 804 +269 1 806 805 807 +270 1 809 808 810 +271 1 812 811 813 +272 1 815 814 816 +273 1 818 817 819 +274 1 821 820 822 +275 1 824 823 825 +276 1 827 826 828 +277 1 830 829 831 +278 1 833 832 834 +279 1 836 835 837 +280 1 839 838 840 +281 1 842 841 843 +282 1 845 844 846 +283 1 848 847 849 +284 1 851 850 852 +285 1 854 853 855 +286 1 857 856 858 +287 1 860 859 861 +288 1 863 862 864 +289 1 866 865 867 +290 1 869 868 870 +291 1 872 871 873 +292 1 875 874 876 +293 1 878 877 879 +294 1 881 880 882 +295 1 884 883 885 +296 1 887 886 888 +297 1 890 889 891 +298 1 893 892 894 +299 1 896 895 897 +300 1 899 898 900 +301 1 902 901 903 +302 1 905 904 906 +303 1 908 907 909 +304 1 911 910 912 +305 1 914 913 915 +306 1 917 916 918 +307 1 920 919 921 +308 1 923 922 924 +309 1 926 925 927 +310 1 929 928 930 +311 1 932 931 933 +312 1 935 934 936 +313 1 938 937 939 +314 1 941 940 942 +315 1 944 943 945 +316 1 947 946 948 +317 1 950 949 951 +318 1 953 952 954 +319 1 956 955 957 +320 1 959 958 960 +321 1 962 961 963 +322 1 965 964 966 +323 1 968 967 969 +324 1 971 970 972 +325 1 974 973 975 +326 1 977 976 978 +327 1 980 979 981 +328 1 983 982 984 +329 1 986 985 987 +330 1 989 988 990 +331 1 992 991 993 +332 1 995 994 996 +333 1 998 997 999 +334 1 1001 1000 1002 +335 1 1004 1003 1005 +336 1 1007 1006 1008 +337 1 1010 1009 1011 +338 1 1013 1012 1014 +339 1 1016 1015 1017 +340 1 1019 1018 1020 +341 1 1022 1021 1023 +342 1 1025 1024 1026 +343 1 1028 1027 1029 +344 1 1031 1030 1032 +345 1 1034 1033 1035 +346 1 1037 1036 1038 +347 1 1040 1039 1041 +348 1 1043 1042 1044 +349 1 1046 1045 1047 +350 1 1049 1048 1050 +351 1 1052 1051 1053 +352 1 1055 1054 1056 +353 1 1058 1057 1059 +354 1 1061 1060 1062 +355 1 1064 1063 1065 +356 1 1067 1066 1068 +357 1 1070 1069 1071 +358 1 1073 1072 1074 +359 1 1076 1075 1077 +360 1 1079 1078 1080 +361 1 1082 1081 1083 +362 1 1085 1084 1086 +363 1 1088 1087 1089 +364 1 1091 1090 1092 +365 1 1094 1093 1095 +366 1 1097 1096 1098 +367 1 1100 1099 1101 +368 1 1103 1102 1104 +369 1 1106 1105 1107 +370 1 1109 1108 1110 +371 1 1112 1111 1113 +372 1 1115 1114 1116 +373 1 1118 1117 1119 +374 1 1121 1120 1122 +375 1 1124 1123 1125 +376 1 1127 1126 1128 +377 1 1130 1129 1131 +378 1 1133 1132 1134 +379 1 1136 1135 1137 +380 1 1139 1138 1140 +381 1 1142 1141 1143 +382 1 1145 1144 1146 +383 1 1148 1147 1149 +384 1 1151 1150 1152 +385 1 1154 1153 1155 +386 1 1157 1156 1158 +387 1 1160 1159 1161 +388 1 1163 1162 1164 +389 1 1166 1165 1167 +390 1 1169 1168 1170 +391 1 1172 1171 1173 +392 1 1175 1174 1176 +393 1 1178 1177 1179 +394 1 1181 1180 1182 +395 1 1184 1183 1185 +396 1 1187 1186 1188 +397 1 1190 1189 1191 +398 1 1193 1192 1194 +399 1 1196 1195 1197 +400 1 1199 1198 1200 +401 1 1202 1201 1203 +402 1 1205 1204 1206 +403 1 1208 1207 1209 +404 1 1211 1210 1212 +405 1 1214 1213 1215 +406 1 1217 1216 1218 +407 1 1220 1219 1221 +408 1 1223 1222 1224 +409 1 1226 1225 1227 +410 1 1229 1228 1230 +411 1 1232 1231 1233 +412 1 1235 1234 1236 +413 1 1238 1237 1239 +414 1 1241 1240 1242 +415 1 1244 1243 1245 +416 1 1247 1246 1248 +417 1 1250 1249 1251 +418 1 1253 1252 1254 +419 1 1256 1255 1257 +420 1 1259 1258 1260 +421 1 1262 1261 1263 +422 1 1265 1264 1266 +423 1 1268 1267 1269 +424 1 1271 1270 1272 +425 1 1274 1273 1275 +426 1 1277 1276 1278 +427 1 1280 1279 1281 +428 1 1283 1282 1284 +429 1 1286 1285 1287 +430 1 1289 1288 1290 +431 1 1292 1291 1293 +432 1 1295 1294 1296 +433 1 1298 1297 1299 +434 1 1301 1300 1302 +435 1 1304 1303 1305 +436 1 1307 1306 1308 +437 1 1310 1309 1311 +438 1 1313 1312 1314 +439 1 1316 1315 1317 +440 1 1319 1318 1320 +441 1 1322 1321 1323 +442 1 1325 1324 1326 +443 1 1328 1327 1329 +444 1 1331 1330 1332 +445 1 1334 1333 1335 +446 1 1337 1336 1338 +447 1 1340 1339 1341 +448 1 1343 1342 1344 +449 1 1346 1345 1347 +450 1 1349 1348 1350 +451 1 1352 1351 1353 +452 1 1355 1354 1356 +453 1 1358 1357 1359 +454 1 1361 1360 1362 +455 1 1364 1363 1365 +456 1 1367 1366 1368 +457 1 1370 1369 1371 +458 1 1373 1372 1374 +459 1 1376 1375 1377 +460 1 1379 1378 1380 +461 1 1382 1381 1383 +462 1 1385 1384 1386 +463 1 1388 1387 1389 +464 1 1391 1390 1392 +465 1 1394 1393 1395 +466 1 1397 1396 1398 +467 1 1400 1399 1401 +468 1 1403 1402 1404 +469 1 1406 1405 1407 +470 1 1409 1408 1410 +471 1 1412 1411 1413 +472 1 1415 1414 1416 +473 1 1418 1417 1419 +474 1 1421 1420 1422 +475 1 1424 1423 1425 +476 1 1427 1426 1428 +477 1 1430 1429 1431 +478 1 1433 1432 1434 +479 1 1436 1435 1437 +480 1 1439 1438 1440 +481 1 1442 1441 1443 +482 1 1445 1444 1446 +483 1 1448 1447 1449 +484 1 1451 1450 1452 +485 1 1454 1453 1455 +486 1 1457 1456 1458 +487 1 1460 1459 1461 +488 1 1463 1462 1464 +489 1 1466 1465 1467 +490 1 1469 1468 1470 +491 1 1472 1471 1473 +492 1 1475 1474 1476 +493 1 1478 1477 1479 +494 1 1481 1480 1482 +495 1 1484 1483 1485 +496 1 1487 1486 1488 +497 1 1490 1489 1491 +498 1 1493 1492 1494 +499 1 1496 1495 1497 +500 1 1499 1498 1500 +501 1 1502 1501 1503 +502 1 1505 1504 1506 +503 1 1508 1507 1509 +504 1 1511 1510 1512 +505 1 1514 1513 1515 +506 1 1517 1516 1518 +507 1 1520 1519 1521 +508 1 1523 1522 1524 +509 1 1526 1525 1527 +510 1 1529 1528 1530 +511 1 1532 1531 1533 +512 1 1535 1534 1536 +513 1 1538 1537 1539 +514 1 1541 1540 1542 +515 1 1544 1543 1545 +516 1 1547 1546 1548 +517 1 1550 1549 1551 +518 1 1553 1552 1554 +519 1 1556 1555 1557 +520 1 1559 1558 1560 +521 1 1562 1561 1563 +522 1 1565 1564 1566 +523 1 1568 1567 1569 +524 1 1571 1570 1572 +525 1 1574 1573 1575 +526 1 1577 1576 1578 +527 1 1580 1579 1581 +528 1 1583 1582 1584 +529 1 1586 1585 1587 +530 1 1589 1588 1590 +531 1 1592 1591 1593 +532 1 1595 1594 1596 +533 1 1598 1597 1599 +534 1 1601 1600 1602 +535 1 1604 1603 1605 +536 1 1607 1606 1608 +537 1 1610 1609 1611 +538 1 1613 1612 1614 +539 1 1616 1615 1617 +540 1 1619 1618 1620 +541 1 1622 1621 1623 +542 1 1625 1624 1626 +543 1 1628 1627 1629 +544 1 1631 1630 1632 +545 1 1634 1633 1635 +546 1 1637 1636 1638 +547 1 1640 1639 1641 +548 1 1643 1642 1644 +549 1 1646 1645 1647 +550 1 1649 1648 1650 +551 1 1652 1651 1653 +552 1 1655 1654 1656 +553 1 1658 1657 1659 +554 1 1661 1660 1662 +555 1 1664 1663 1665 +556 1 1667 1666 1668 +557 1 1670 1669 1671 +558 1 1673 1672 1674 +559 1 1676 1675 1677 +560 1 1679 1678 1680 +561 1 1682 1681 1683 +562 1 1685 1684 1686 +563 1 1688 1687 1689 +564 1 1691 1690 1692 +565 1 1694 1693 1695 +566 1 1697 1696 1698 +567 1 1700 1699 1701 +568 1 1703 1702 1704 +569 1 1706 1705 1707 +570 1 1709 1708 1710 +571 1 1712 1711 1713 +572 1 1715 1714 1716 +573 1 1718 1717 1719 +574 1 1721 1720 1722 +575 1 1724 1723 1725 +576 1 1727 1726 1728 +577 1 1730 1729 1731 +578 1 1733 1732 1734 +579 1 1736 1735 1737 +580 1 1739 1738 1740 +581 1 1742 1741 1743 +582 1 1745 1744 1746 +583 1 1748 1747 1749 +584 1 1751 1750 1752 +585 1 1754 1753 1755 +586 1 1757 1756 1758 +587 1 1760 1759 1761 +588 1 1763 1762 1764 +589 1 1766 1765 1767 +590 1 1769 1768 1770 +591 1 1772 1771 1773 +592 1 1775 1774 1776 +593 1 1778 1777 1779 +594 1 1781 1780 1782 +595 1 1784 1783 1785 +596 1 1787 1786 1788 +597 1 1790 1789 1791 +598 1 1793 1792 1794 +599 1 1796 1795 1797 +600 1 1799 1798 1800 +601 1 1802 1801 1803 +602 1 1805 1804 1806 +603 1 1808 1807 1809 +604 1 1811 1810 1812 +605 1 1814 1813 1815 +606 1 1817 1816 1818 +607 1 1820 1819 1821 +608 1 1823 1822 1824 +609 1 1826 1825 1827 +610 1 1829 1828 1830 +611 1 1832 1831 1833 +612 1 1835 1834 1836 +613 1 1838 1837 1839 +614 1 1841 1840 1842 +615 1 1844 1843 1845 +616 1 1847 1846 1848 +617 1 1850 1849 1851 +618 1 1853 1852 1854 +619 1 1856 1855 1857 +620 1 1859 1858 1860 +621 1 1862 1861 1863 +622 1 1865 1864 1866 +623 1 1868 1867 1869 +624 1 1871 1870 1872 +625 1 1874 1873 1875 +626 1 1877 1876 1878 +627 1 1880 1879 1881 +628 1 1883 1882 1884 +629 1 1886 1885 1887 +630 1 1889 1888 1890 +631 1 1892 1891 1893 +632 1 1895 1894 1896 +633 1 1898 1897 1899 +634 1 1901 1900 1902 +635 1 1904 1903 1905 +636 1 1907 1906 1908 +637 1 1910 1909 1911 +638 1 1913 1912 1914 +639 1 1916 1915 1917 +640 1 1919 1918 1920 +641 1 1922 1921 1923 +642 1 1925 1924 1926 +643 1 1928 1927 1929 +644 1 1931 1930 1932 +645 1 1934 1933 1935 +646 1 1937 1936 1938 +647 1 1940 1939 1941 +648 1 1943 1942 1944 +649 1 1946 1945 1947 +650 1 1949 1948 1950 +651 1 1952 1951 1953 +652 1 1955 1954 1956 +653 1 1958 1957 1959 +654 1 1961 1960 1962 +655 1 1964 1963 1965 +656 1 1967 1966 1968 +657 1 1970 1969 1971 +658 1 1973 1972 1974 +659 1 1976 1975 1977 +660 1 1979 1978 1980 +661 1 1982 1981 1983 +662 1 1985 1984 1986 +663 1 1988 1987 1989 +664 1 1991 1990 1992 +665 1 1994 1993 1995 +666 1 1997 1996 1998 +667 1 2000 1999 2001 +668 1 2003 2002 2004 +669 1 2006 2005 2007 +670 1 2009 2008 2010 +671 1 2012 2011 2013 +672 1 2015 2014 2016 +673 1 2018 2017 2019 +674 1 2021 2020 2022 +675 1 2024 2023 2025 +676 1 2027 2026 2028 +677 1 2030 2029 2031 +678 1 2033 2032 2034 +679 1 2036 2035 2037 +680 1 2039 2038 2040 +681 1 2042 2041 2043 +682 1 2045 2044 2046 +683 1 2048 2047 2049 +684 1 2051 2050 2052 +685 1 2054 2053 2055 +686 1 2057 2056 2058 +687 1 2060 2059 2061 +688 1 2063 2062 2064 +689 1 2066 2065 2067 +690 1 2069 2068 2070 +691 1 2072 2071 2073 +692 1 2075 2074 2076 +693 1 2078 2077 2079 +694 1 2081 2080 2082 +695 1 2084 2083 2085 +696 1 2087 2086 2088 +697 1 2090 2089 2091 +698 1 2093 2092 2094 +699 1 2096 2095 2097 +700 1 2099 2098 2100 +701 1 2102 2101 2103 +702 1 2105 2104 2106 +703 1 2108 2107 2109 +704 1 2111 2110 2112 +705 1 2114 2113 2115 +706 1 2117 2116 2118 +707 1 2120 2119 2121 +708 1 2123 2122 2124 +709 1 2126 2125 2127 +710 1 2129 2128 2130 +711 1 2132 2131 2133 +712 1 2135 2134 2136 +713 1 2138 2137 2139 +714 1 2141 2140 2142 +715 1 2144 2143 2145 +716 1 2147 2146 2148 +717 1 2150 2149 2151 +718 1 2153 2152 2154 +719 1 2156 2155 2157 +720 1 2159 2158 2160 +721 1 2162 2161 2163 +722 1 2165 2164 2166 +723 1 2168 2167 2169 +724 1 2171 2170 2172 +725 1 2174 2173 2175 +726 1 2177 2176 2178 +727 1 2180 2179 2181 +728 1 2183 2182 2184 +729 1 2186 2185 2187 +730 1 2189 2188 2190 +731 1 2192 2191 2193 +732 1 2195 2194 2196 +733 1 2198 2197 2199 +734 1 2201 2200 2202 +735 1 2204 2203 2205 +736 1 2207 2206 2208 +737 1 2210 2209 2211 +738 1 2213 2212 2214 +739 1 2216 2215 2217 +740 1 2219 2218 2220 +741 1 2222 2221 2223 +742 1 2225 2224 2226 +743 1 2228 2227 2229 +744 1 2231 2230 2232 +745 1 2234 2233 2235 +746 1 2237 2236 2238 +747 1 2240 2239 2241 +748 1 2243 2242 2244 +749 1 2246 2245 2247 +750 1 2249 2248 2250 +751 1 2252 2251 2253 +752 1 2255 2254 2256 +753 1 2258 2257 2259 +754 1 2261 2260 2262 +755 1 2264 2263 2265 +756 1 2267 2266 2268 +757 1 2270 2269 2271 +758 1 2273 2272 2274 +759 1 2276 2275 2277 +760 1 2279 2278 2280 +761 1 2282 2281 2283 +762 1 2285 2284 2286 +763 1 2288 2287 2289 +764 1 2291 2290 2292 +765 1 2294 2293 2295 +766 1 2297 2296 2298 +767 1 2300 2299 2301 +768 1 2303 2302 2304 +769 1 2306 2305 2307 +770 1 2309 2308 2310 +771 1 2312 2311 2313 +772 1 2315 2314 2316 +773 1 2318 2317 2319 +774 1 2321 2320 2322 +775 1 2324 2323 2325 +776 1 2327 2326 2328 +777 1 2330 2329 2331 +778 1 2333 2332 2334 +779 1 2336 2335 2337 +780 1 2339 2338 2340 +781 1 2342 2341 2343 +782 1 2345 2344 2346 +783 1 2348 2347 2349 +784 1 2351 2350 2352 +785 1 2354 2353 2355 +786 1 2357 2356 2358 +787 1 2360 2359 2361 +788 1 2363 2362 2364 +789 1 2366 2365 2367 +790 1 2369 2368 2370 +791 1 2372 2371 2373 +792 1 2375 2374 2376 +793 1 2378 2377 2379 +794 1 2381 2380 2382 +795 1 2384 2383 2385 +796 1 2387 2386 2388 +797 1 2390 2389 2391 +798 1 2393 2392 2394 +799 1 2396 2395 2397 +800 1 2399 2398 2400 +801 1 2402 2401 2403 +802 1 2405 2404 2406 +803 1 2408 2407 2409 +804 1 2411 2410 2412 +805 1 2414 2413 2415 +806 1 2417 2416 2418 +807 1 2420 2419 2421 +808 1 2423 2422 2424 +809 1 2426 2425 2427 +810 1 2429 2428 2430 +811 1 2432 2431 2433 +812 1 2435 2434 2436 +813 1 2438 2437 2439 +814 1 2441 2440 2442 +815 1 2444 2443 2445 +816 1 2447 2446 2448 +817 1 2450 2449 2451 +818 1 2453 2452 2454 +819 1 2456 2455 2457 +820 1 2459 2458 2460 +821 1 2462 2461 2463 +822 1 2465 2464 2466 +823 1 2468 2467 2469 +824 1 2471 2470 2472 +825 1 2474 2473 2475 +826 1 2477 2476 2478 +827 1 2480 2479 2481 +828 1 2483 2482 2484 +829 1 2486 2485 2487 +830 1 2489 2488 2490 +831 1 2492 2491 2493 +832 1 2495 2494 2496 +833 1 2498 2497 2499 +834 1 2501 2500 2502 +835 1 2504 2503 2505 +836 1 2507 2506 2508 +837 1 2510 2509 2511 +838 1 2513 2512 2514 +839 1 2516 2515 2517 +840 1 2519 2518 2520 +841 1 2522 2521 2523 +842 1 2525 2524 2526 +843 1 2528 2527 2529 +844 1 2531 2530 2532 +845 1 2534 2533 2535 +846 1 2537 2536 2538 +847 1 2540 2539 2541 +848 1 2543 2542 2544 +849 1 2546 2545 2547 +850 1 2549 2548 2550 +851 1 2552 2551 2553 +852 1 2555 2554 2556 +853 1 2558 2557 2559 +854 1 2561 2560 2562 +855 1 2564 2563 2565 +856 1 2567 2566 2568 +857 1 2570 2569 2571 +858 1 2573 2572 2574 +859 1 2576 2575 2577 +860 1 2579 2578 2580 +861 1 2582 2581 2583 +862 1 2585 2584 2586 +863 1 2588 2587 2589 +864 1 2591 2590 2592 +865 1 2594 2593 2595 +866 1 2597 2596 2598 +867 1 2600 2599 2601 +868 1 2603 2602 2604 +869 1 2606 2605 2607 +870 1 2609 2608 2610 +871 1 2612 2611 2613 +872 1 2615 2614 2616 +873 1 2618 2617 2619 +874 1 2621 2620 2622 +875 1 2624 2623 2625 +876 1 2627 2626 2628 +877 1 2630 2629 2631 +878 1 2633 2632 2634 +879 1 2636 2635 2637 +880 1 2639 2638 2640 +881 1 2642 2641 2643 +882 1 2645 2644 2646 +883 1 2648 2647 2649 +884 1 2651 2650 2652 +885 1 2654 2653 2655 +886 1 2657 2656 2658 +887 1 2660 2659 2661 +888 1 2663 2662 2664 +889 1 2666 2665 2667 +890 1 2669 2668 2670 +891 1 2672 2671 2673 +892 1 2675 2674 2676 +893 1 2678 2677 2679 +894 1 2681 2680 2682 +895 1 2684 2683 2685 +896 1 2687 2686 2688 +897 1 2690 2689 2691 +898 1 2693 2692 2694 +899 1 2696 2695 2697 +900 1 2699 2698 2700 +901 1 2702 2701 2703 +902 1 2705 2704 2706 +903 1 2708 2707 2709 +904 1 2711 2710 2712 +905 1 2714 2713 2715 +906 1 2717 2716 2718 +907 1 2720 2719 2721 +908 1 2723 2722 2724 +909 1 2726 2725 2727 +910 1 2729 2728 2730 +911 1 2732 2731 2733 +912 1 2735 2734 2736 +913 1 2738 2737 2739 +914 1 2741 2740 2742 +915 1 2744 2743 2745 +916 1 2747 2746 2748 +917 1 2750 2749 2751 +918 1 2753 2752 2754 +919 1 2756 2755 2757 +920 1 2759 2758 2760 +921 1 2762 2761 2763 +922 1 2765 2764 2766 +923 1 2768 2767 2769 +924 1 2771 2770 2772 +925 1 2774 2773 2775 +926 1 2777 2776 2778 +927 1 2780 2779 2781 +928 1 2783 2782 2784 +929 1 2786 2785 2787 +930 1 2789 2788 2790 +931 1 2792 2791 2793 +932 1 2795 2794 2796 +933 1 2798 2797 2799 +934 1 2801 2800 2802 +935 1 2804 2803 2805 +936 1 2807 2806 2808 +937 1 2810 2809 2811 +938 1 2813 2812 2814 +939 1 2816 2815 2817 +940 1 2819 2818 2820 +941 1 2822 2821 2823 +942 1 2825 2824 2826 +943 1 2828 2827 2829 +944 1 2831 2830 2832 +945 1 2834 2833 2835 +946 1 2837 2836 2838 +947 1 2840 2839 2841 +948 1 2843 2842 2844 +949 1 2846 2845 2847 +950 1 2849 2848 2850 +951 1 2852 2851 2853 +952 1 2855 2854 2856 +953 1 2858 2857 2859 +954 1 2861 2860 2862 +955 1 2864 2863 2865 +956 1 2867 2866 2868 +957 1 2870 2869 2871 +958 1 2873 2872 2874 +959 1 2876 2875 2877 +960 1 2879 2878 2880 +961 1 2882 2881 2883 +962 1 2885 2884 2886 +963 1 2888 2887 2889 +964 1 2891 2890 2892 +965 1 2894 2893 2895 +966 1 2897 2896 2898 +967 1 2900 2899 2901 +968 1 2903 2902 2904 +969 1 2906 2905 2907 +970 1 2909 2908 2910 +971 1 2912 2911 2913 +972 1 2915 2914 2916 +973 1 2918 2917 2919 +974 1 2921 2920 2922 +975 1 2924 2923 2925 +976 1 2927 2926 2928 +977 1 2930 2929 2931 +978 1 2933 2932 2934 +979 1 2936 2935 2937 +980 1 2939 2938 2940 +981 1 2942 2941 2943 +982 1 2945 2944 2946 +983 1 2948 2947 2949 +984 1 2951 2950 2952 +985 1 2954 2953 2955 +986 1 2957 2956 2958 +987 1 2960 2959 2961 +988 1 2963 2962 2964 +989 1 2966 2965 2967 +990 1 2969 2968 2970 +991 1 2972 2971 2973 +992 1 2975 2974 2976 +993 1 2978 2977 2979 +994 1 2981 2980 2982 +995 1 2984 2983 2985 +996 1 2987 2986 2988 +997 1 2990 2989 2991 +998 1 2993 2992 2994 +999 1 2996 2995 2997 +1000 1 2999 2998 3000 +1001 1 3002 3001 3003 +1002 1 3005 3004 3006 +1003 1 3008 3007 3009 +1004 1 3011 3010 3012 +1005 1 3014 3013 3015 +1006 1 3017 3016 3018 +1007 1 3020 3019 3021 +1008 1 3023 3022 3024 +1009 1 3026 3025 3027 +1010 1 3029 3028 3030 +1011 1 3032 3031 3033 +1012 1 3035 3034 3036 +1013 1 3038 3037 3039 +1014 1 3041 3040 3042 +1015 1 3044 3043 3045 +1016 1 3047 3046 3048 +1017 1 3050 3049 3051 +1018 1 3053 3052 3054 +1019 1 3056 3055 3057 +1020 1 3059 3058 3060 +1021 1 3062 3061 3063 +1022 1 3065 3064 3066 +1023 1 3068 3067 3069 +1024 1 3071 3070 3072 + diff --git a/examples/PACKAGES/fep/ta/in.spce.lmp b/examples/PACKAGES/fep/ta/in.spce.lmp new file mode 100644 index 0000000000..a9464cc7be --- /dev/null +++ b/examples/PACKAGES/fep/ta/in.spce.lmp @@ -0,0 +1,49 @@ + +units real +boundary p p p + +atom_style full +bond_style harmonic +angle_style harmonic + +special_bonds lj/coul 0.0 0.0 0.5 + +pair_style lj/cut/coul/long 12.0 12.0 +pair_modify tail no +kspace_style pppm 1.0e-5 + +read_data data.spce # 8x8x16 SPCE molecules in a 30x30x100 box + +bond_coeff 1 517.630258 1.0 +angle_coeff 1 37.950526 109.47 +pair_coeff 1 1 0.1553 3.166 # O O +pair_coeff 1 2 0.0 1.0 # O H +pair_coeff 2 2 0.0 1.0 # H H + +# don't use fix shake with compute fep/ta +# fix SHAKE all shake 0.0001 20 0 b 1 + +neighbor 2.0 bin +# neigh_modify delay 0 every 1 check yes + +timestep 1.0 + +variable TK equal 300.0 +compute TA all fep/ta ${TK} xy 1.0005 + +velocity all create ${TK} 12345 + +thermo_style custom step temp press etotal pe c_TA[*] +thermo 5000 + +fix NVT all nvt temp ${TK} ${TK} 100 +run 300000 + +reset_timestep 0 + +variable gamma_v equal 100*(pzz-0.5*(pxx+pyy))/2/100 # surface tension via the mechanical route + +fix FEP all ave/time 100 1000 100000 c_TA[*] v_gamma_v ave running file spce.fep.ta + +run 2000000 + diff --git a/examples/PACKAGES/fep/ta/log.spce b/examples/PACKAGES/fep/ta/log.spce new file mode 100644 index 0000000000..96bb1bd351 --- /dev/null +++ b/examples/PACKAGES/fep/ta/log.spce @@ -0,0 +1,689 @@ +LAMMPS (17 Feb 2022) +OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) + using 1 OpenMP thread(s) per MPI task +package gpu 0 + +units real +boundary p p p + +atom_style full +bond_style harmonic +angle_style harmonic + +special_bonds lj/coul 0.0 0.0 0.5 + +pair_style lj/cut/coul/long 12.0 12.0 +pair_modify tail no +kspace_style pppm 1.0e-5 + +read_data data.spce # 8x8x16 SPCE molecules in a 30x30x100 box +Reading data file ... + orthogonal box = (0 0 0) to (30 30 100) + 1 by 1 by 1 MPI processor grid + reading atoms ... + 3072 atoms + scanning bonds ... + 2 = max bonds/atom + scanning angles ... + 1 = max angles/atom + reading bonds ... + 2048 bonds + reading angles ... + 1024 angles +Finding 1-2 1-3 1-4 neighbors ... + special bond factors lj: 0 0 0.5 + special bond factors coul: 0 0 0.5 + 2 = max # of 1-2 neighbors + 1 = max # of 1-3 neighbors + 1 = max # of 1-4 neighbors + 2 = max # of special neighbors + special bonds CPU = 0.001 seconds + read_data CPU = 0.006 seconds + +bond_coeff 1 517.630258 1.0 +angle_coeff 1 37.950526 109.47 +pair_coeff 1 1 0.1553 3.166 # O O +pair_coeff 1 2 0.0 1.0 # O H +pair_coeff 2 2 0.0 1.0 # H H + +# don't use fix shake with compute fep/ta +# fix SHAKE all shake 0.0001 20 0 b 1 + +neighbor 2.0 bin +# neigh_modify delay 0 every 1 check yes + +timestep 1.0 + +variable TK equal 300.0 +compute TA all fep/ta ${TK} xy 1.0005 +compute TA all fep/ta 300 xy 1.0005 + +velocity all create ${TK} 12345 +velocity all create 300 12345 + +thermo_style custom step temp press etotal pe c_TA[*] +thermo 5000 + +fix NVT all nvt temp ${TK} ${TK} 100 +fix NVT all nvt temp 300 ${TK} 100 +fix NVT all nvt temp 300 300 100 +run 300000 + +CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE + +Your simulation uses code contributions which should be cited: + +- GPU package (short-range, long-range and three-body potentials): + +@Article{Brown11, + author = {W. M. Brown, P. Wang, S. J. Plimpton, A. N. Tharrington}, + title = {Implementing Molecular Dynamics on Hybrid High Performance Computers - Short Range Forces}, + journal = {Comp.~Phys.~Comm.}, + year = 2011, + volume = 182, + pages = {898--911} +} + +@Article{Brown12, + author = {W. M. Brown, A. Kohlmeyer, S. J. Plimpton, A. N. Tharrington}, + title = {Implementing Molecular Dynamics on Hybrid High Performance Computers - Particle-Particle Particle-Mesh}, + journal = {Comp.~Phys.~Comm.}, + year = 2012, + volume = 183, + pages = {449--459} +} + +@Article{Brown13, + author = {W. M. Brown, Y. Masako}, + title = {Implementing Molecular Dynamics on Hybrid High Performance Computers – Three-Body Potentials}, + journal = {Comp.~Phys.~Comm.}, + year = 2013, + volume = 184, + pages = {2785--2793} +} + +@Article{Trung15, + author = {T. D. Nguyen, S. J. Plimpton}, + title = {Accelerating dissipative particle dynamics simulations for soft matter systems}, + journal = {Comput.~Mater.~Sci.}, + year = 2015, + volume = 100, + pages = {173--180} +} + +@Article{Trung17, + author = {T. D. Nguyen}, + title = {GPU-accelerated Tersoff potentials for massively parallel Molecular Dynamics simulations}, + journal = {Comp.~Phys.~Comm.}, + year = 2017, + volume = 212, + pages = {113--122} +} + +@Article{Nikolskiy19, + author = {V. Nikolskiy, V. Stegailov}, + title = {GPU acceleration of four-site water models in LAMMPS}, + journal = {Proceeding of the International Conference on Parallel Computing (ParCo 2019), Prague, Czech Republic}, + year = 2019 +} + +CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE + +PPPM initialization ... + using 12-bit tables for long-range coulomb (src/kspace.cpp:340) + G vector (1/distance) = 0.24270009 + grid = 20 20 50 + stencil order = 5 + estimated absolute RMS force accuracy = 0.0037271514 + estimated relative force accuracy = 1.1224206e-05 + using double precision FFTW3 + 3d grid and FFT values/proc = 40824 20000 + generated 0 of 1 mixed pair_coeff terms from geometric mixing rule +FEP/TA settings ... + temperature = 300.000000 + scale factor = 1.000500 + tail no +Per MPI rank memory allocation (min/avg/max) = 10.59 | 10.59 | 10.59 Mbytes + Step Temp Press TotEng PotEng c_TA[1] c_TA[2] c_TA[3] + 0 300 5742.8831 8061.6965 5315.4762 -10.940045 93249708 0.45 + 5000 301.43029 -118.64017 -7888.4723 -10647.786 -0.13617205 1.2566061 0.45 + 10000 294.49018 -301.44062 -8063.3808 -10759.164 -0.14897537 1.2838851 0.45 + 15000 294.36123 -407.07728 -8189.2912 -10883.894 0.34568257 0.55998421 0.45 + 20000 300.95171 111.50248 -8104.1193 -10859.052 0.11293291 0.82742794 0.45 + 25000 300.28473 388.00598 -8147.8655 -10896.692 0.11270184 0.82774872 0.45 + 30000 306.62229 -113.93849 -8191.7529 -10998.594 0.26068823 0.6457922 0.45 + 35000 303.66349 -426.81556 -8269.8364 -11049.593 0.78191631 0.26939311 0.45 + 40000 291.70214 -50.50854 -8368.0775 -11038.339 0.20120788 0.71354814 0.45 + 45000 299.74326 -289.18081 -8346.2716 -11090.142 0.4163404 0.49739645 0.45 + 50000 300.53193 36.834691 -8367.5726 -11118.662 0.20517137 0.70881996 0.45 + 55000 298.20207 -107.76906 -8274.386 -11004.148 0.7409946 0.2885342 0.45 + 60000 298.32558 -65.20542 -8433.4884 -11164.381 0.16210976 0.76191344 0.45 + 65000 297.3149 -102.87381 -8379.2515 -11100.892 0.21193701 0.70082127 0.45 + 70000 300.78423 -463.75811 -8381.3317 -11134.731 0.32109349 0.58356406 0.45 + 75000 299.53099 -53.264996 -8495.159 -11237.086 0.44828935 0.47144212 0.45 + 80000 295.55879 -590.1244 -8432.3435 -11137.909 0.28788374 0.61699451 0.45 + 85000 298.73289 -234.73297 -8473.8721 -11208.493 -0.11723275 1.2173128 0.45 + 90000 307.02709 -264.9035 -8303.7625 -11114.309 -0.098959935 1.1805672 0.45 + 95000 304.79112 199.8891 -8364.2553 -11154.334 0.036986735 0.93984396 0.45 + 100000 295.49748 -743.18974 -8453.8066 -11158.811 0.249981 0.65749559 0.45 + 105000 303.11352 -163.70166 -8324.4846 -11099.206 -0.012286442 1.0208231 0.45 + 110000 294.30278 -33.731015 -8512.8168 -11206.884 -0.0129379 1.0219392 0.45 + 115000 293.65421 393.24871 -8481.1933 -11169.324 0.75255277 0.28299408 0.45 + 120000 300.56448 16.832298 -8507.3819 -11258.769 0.13389897 0.79883437 0.45 + 125000 297.92506 -398.77893 -8576.4403 -11303.666 0.07292658 0.88485917 0.45 + 130000 303.007 -589.11865 -8560.7259 -11334.472 0.42876446 0.48713794 0.45 + 135000 310.82674 -203.4991 -8565.3181 -11410.647 0.075268046 0.88139064 0.45 + 140000 303.68345 -710.20709 -8570.895 -11350.834 -0.1023741 1.1873476 0.45 + 145000 293.86825 129.05781 -8457.0747 -11147.165 0.39475138 0.51573896 0.45 + 150000 296.93136 -734.03863 -8577.2763 -11295.406 0.73600373 0.29095985 0.45 + 155000 296.67522 -290.20206 -8631.0579 -11346.843 -0.30049664 1.6554154 0.45 + 160000 301.5685 -656.03394 -8646.3196 -11406.898 0.08494101 0.86720512 0.45 + 165000 295.8808 342.45206 -8602.0309 -11310.544 -0.30873864 1.6784606 0.45 + 170000 303.33048 -64.144957 -8580.8446 -11357.552 0.13622456 0.79572423 0.45 + 175000 300.75245 -908.44969 -8566.8005 -11319.909 0.15795135 0.76724659 0.45 + 180000 301.34603 -350.00512 -8489.0111 -11247.553 0.21089487 0.70204744 0.45 + 185000 305.96254 62.840515 -8458.0542 -11258.856 -0.050029338 1.0875408 0.45 + 190000 300.14392 256.935 -8684.6591 -11432.197 0.40144188 0.50998337 0.45 + 195000 299.32366 -218.70113 -8505.3328 -11245.362 -0.19428451 1.3852659 0.45 + 200000 307.89424 -569.89954 -8615.1541 -11433.639 0.55121888 0.39668508 0.45 + 205000 299.34873 334.69765 -8657.6353 -11397.894 0.17751997 0.74247109 0.45 + 210000 298.54619 -261.12193 -8601.2439 -11334.156 0.74219016 0.28795615 0.45 + 215000 304.02395 -306.81112 -8531.9913 -11315.047 0.86987192 0.23244073 0.45 + 220000 299.95916 278.60921 -8682.394 -11428.24 -0.26474202 1.559051 0.45 + 225000 302.839 -226.36906 -8515.0815 -11287.29 0.060381353 0.90367684 0.45 + 230000 299.54085 240.08589 -8636.8991 -11378.916 -0.46699438 2.1887589 0.45 + 235000 297.62792 -138.20813 -8627.0888 -11351.595 -0.035013312 1.0604901 0.45 + 240000 299.15558 442.88999 -8749.2731 -11487.763 0.14696819 0.78151268 0.45 + 245000 291.76323 174.70322 -8597.8808 -11268.701 -0.3979188 1.9492946 0.45 + 250000 308.21961 37.282506 -8603.7127 -11425.176 0.021882894 0.96395922 0.45 + 255000 307.18484 -493.77408 -8459.5942 -11271.585 0.16914044 0.75298079 0.45 + 260000 294.17364 -238.05366 -8677.8379 -11370.723 -0.35710078 1.8202968 0.45 + 265000 289.14461 -304.12454 -8727.2613 -11374.111 0.18045129 0.73882932 0.45 + 270000 301.51228 -255.75558 -8640.9577 -11401.022 0.49252861 0.43772444 0.45 + 275000 294.98349 -351.00974 -8678.3965 -11378.695 -0.31576914 1.6983718 0.45 + 280000 294.37376 279.87325 -8668.9575 -11363.675 0.26328091 0.64298978 0.45 + 285000 295.68351 249.3086 -8748.533 -11455.24 0.6820904 0.31849899 0.45 + 290000 298.74266 -749.43024 -8583.8679 -11318.578 0.030414997 0.95026156 0.45 + 295000 292.67215 -573.39647 -8713.3223 -11392.463 0.25656615 0.65027291 0.45 + 300000 302.48853 186.71329 -8655.8918 -11424.892 0.20319721 0.71117107 0.45 +Loop time of 706.805 on 1 procs for 300000 steps with 3072 atoms + +Performance: 36.672 ns/day, 0.654 hours/ns, 424.445 timesteps/s +95.4% CPU use with 1 MPI tasks x 1 OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 149.88 | 149.88 | 149.88 | 0.0 | 21.21 +Bond | 17.824 | 17.824 | 17.824 | 0.0 | 2.52 +Kspace | 517.46 | 517.46 | 517.46 | 0.0 | 73.21 +Neigh | 1.3789 | 1.3789 | 1.3789 | 0.0 | 0.20 +Comm | 9.412 | 9.412 | 9.412 | 0.0 | 1.33 +Output | 0.092 | 0.092 | 0.092 | 0.0 | 0.01 +Modify | 8.3026 | 8.3026 | 8.3026 | 0.0 | 1.17 +Other | | 2.458 | | | 0.35 + +Nlocal: 3072 ave 3072 max 3072 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Nghost: 8370 ave 8370 max 8370 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Neighs: 0 ave 0 max 0 min +Histogram: 1 0 0 0 0 0 0 0 0 0 + +Total # of neighbors = -1 +Ave neighs/atom = -0.00032552083 +Ave special neighs/atom = 2 +Neighbor list builds = 14698 +Dangerous builds = 21 + +reset_timestep 0 + +variable gamma_v equal 100*(pzz-0.5*(pxx+pyy))/2/100 # surface tension via the mechanical route + +fix FEP all ave/time 100 1000 100000 c_TA[*] v_gamma_v ave running file spce.fep.ta + +run 2000000 +PPPM initialization ... + using 12-bit tables for long-range coulomb (src/kspace.cpp:340) + G vector (1/distance) = 0.24270009 + grid = 20 20 50 + stencil order = 5 + estimated absolute RMS force accuracy = 0.0037271514 + estimated relative force accuracy = 1.1224206e-05 + using double precision FFTW3 + 3d grid and FFT values/proc = 40824 20000 + generated 0 of 1 mixed pair_coeff terms from geometric mixing rule +Per MPI rank memory allocation (min/avg/max) = 10.61 | 10.61 | 10.61 Mbytes + Step Temp Press TotEng PotEng c_TA[1] c_TA[2] c_TA[3] + 0 302.48853 186.71327 -8655.8918 -11424.892 0.20325452 0.71110271 0.45 + 5000 296.71986 -573.544 -8510.0832 -11226.277 0.43636365 0.48096787 0.45 + 10000 302.58189 314.36295 -8636.8139 -11406.669 0.005932853 0.99009761 0.45 + 15000 296.98096 -950.66627 -8635.9066 -11354.49 0.48058674 0.44658101 0.45 + 20000 297.11923 -474.65836 -8666.9864 -11386.836 0.27933535 0.62590536 0.45 + 25000 302.26474 -621.83271 -8655.4227 -11422.375 0.01931686 0.96811729 0.45 + 30000 300.37645 -358.95128 -8568.7732 -11318.44 0.25415456 0.65290873 0.45 + 35000 296.5436 179.71411 -8665.0335 -11379.614 0.1911473 0.72569185 0.45 + 40000 300.79459 92.193193 -8617.7807 -11371.275 0.27587113 0.629553 0.45 + 45000 298.87827 220.06674 -8695.83 -11431.782 0.28715816 0.61774591 0.45 + 50000 304.4095 -375.31266 -8614.4396 -11401.025 -0.18683272 1.3680584 0.45 + 55000 305.11287 128.51602 -8559.8245 -11352.848 0.24122754 0.66722084 0.45 + 60000 296.56241 302.30371 -8725.6357 -11440.388 -0.27104279 1.5756158 0.45 + 65000 295.78468 -393.18931 -8716.4616 -11424.095 0.39132466 0.51871194 0.45 + 70000 297.67504 155.75977 -8641.2451 -11366.182 0.031194864 0.94901929 0.45 + 75000 298.81381 -207.51201 -8622.9859 -11358.348 -0.11330086 1.2093106 0.45 + 80000 296.17928 -360.65589 -8679.0048 -11390.25 0.68794433 0.31538684 0.45 + 85000 303.90294 488.01134 -8643.2028 -11425.151 0.41330713 0.49993365 0.45 + 90000 296.49425 14.901201 -8636.0539 -11350.182 -0.21538319 1.4351695 0.45 + 95000 308.63505 137.10659 -8570.395 -11395.661 0.51407684 0.42218544 0.45 + 100000 302.56638 -402.80803 -8635.0157 -11404.729 0.1552006 0.77079493 0.45 + 105000 293.79289 -417.74599 -8626.2538 -11315.654 -0.13491963 1.253969 0.45 + 110000 293.52504 -808.94658 -8684.9259 -11371.874 0.20573374 0.70815164 0.45 + 115000 307.6821 132.78071 -8639.817 -11456.36 -0.67060193 3.0798018 0.45 + 120000 303.22974 121.87128 -8714.7295 -11490.515 0.3675961 0.5397742 0.45 + 125000 303.8202 -34.518279 -8625.1384 -11406.329 0.17151619 0.74998608 0.45 + 130000 294.5718 -508.86133 -8684.9608 -11381.491 0.23323323 0.67622827 0.45 + 135000 302.79866 -445.99091 -8627.6163 -11399.456 0.3300839 0.57482965 0.45 + 140000 297.84052 -78.442467 -8621.5234 -11347.976 0.39157424 0.51849484 0.45 + 145000 303.64247 463.89678 -8673.8591 -11453.423 0.39692857 0.51385891 0.45 + 150000 288.38239 28.567607 -8789.6464 -11429.518 -0.045509865 1.0793274 0.45 + 155000 296.02581 -111.35664 -8674.295 -11384.135 0.23313764 0.67633671 0.45 + 160000 307.72004 -410.73956 -8578.8169 -11395.707 0.28485416 0.62013794 0.45 + 165000 300.42279 -483.56039 -8598.0354 -11348.126 0.38342507 0.52563101 0.45 + 170000 302.51326 -150.99512 -8626.2426 -11395.469 0.2439355 0.66419697 0.45 + 175000 295.41161 -554.9058 -8760.0201 -11464.238 0.38186652 0.52700696 0.45 + 180000 296.21987 -194.97724 -8645.4143 -11357.031 0.098453456 0.84777037 0.45 + 185000 296.52352 -186.85833 -8690.0538 -11404.45 0.6348999 0.34473516 0.45 + 190000 304.72799 -60.2868 -8667.2005 -11456.701 0.1885985 0.72880108 0.45 + 195000 306.65221 -871.17267 -8679.3434 -11486.458 0.56138735 0.38997638 0.45 + 200000 301.07509 362.96369 -8616.9867 -11373.048 -0.53126323 2.4379049 0.45 + 205000 303.65587 -216.8767 -8564.3182 -11344.005 0.11046546 0.83085967 0.45 + 210000 296.20891 -474.08356 -8698.3778 -11409.894 -0.11237476 1.2074335 0.45 + 215000 295.37276 422.46284 -8714.4636 -11418.326 0.042757549 0.93079022 0.45 + 220000 301.20663 -202.20616 -8577.1827 -11334.449 0.30387837 0.60066105 0.45 + 225000 306.20481 -90.566175 -8503.5134 -11306.533 0.29188403 0.6128683 0.45 + 230000 303.54253 -24.255163 -8641.8724 -11420.521 -0.38522168 1.9082173 0.45 + 235000 300.29265 -572.08074 -8664.2779 -11413.177 0.48055356 0.44660587 0.45 + 240000 302.90712 -226.88617 -8636.6962 -11409.528 -0.15295452 1.2924832 0.45 + 245000 305.05222 -68.241521 -8591.0885 -11383.557 -0.19850824 1.3951152 0.45 + 250000 300.27784 -46.680162 -8746.7288 -11495.492 -0.0098493376 1.0166585 0.45 + 255000 308.23091 -424.64171 -8573.7405 -11395.307 0.1366107 0.79520901 0.45 + 260000 296.11619 4.6901264 -8742.1916 -11452.859 -0.12450429 1.2322516 0.45 + 265000 301.62359 134.42152 -8565.5323 -11326.615 -0.028534957 1.0490284 0.45 + 270000 306.71999 -62.484213 -8690.7983 -11498.534 0.28432443 0.62068922 0.45 + 275000 292.91982 532.15442 -8779.2684 -11460.676 -0.40898808 1.9858264 0.45 + 280000 306.88024 -339.05165 -8557.2761 -11366.479 0.12573772 0.80984534 0.45 + 285000 303.38798 617.66326 -8630.5787 -11407.813 -0.1310487 1.2458532 0.45 + 290000 299.66094 302.90333 -8692.267 -11435.383 0.65063395 0.33575584 0.45 + 295000 304.49009 656.72392 -8710.7918 -11498.115 -0.16849302 1.3266137 0.45 + 300000 303.80861 -221.66912 -8688.9465 -11470.031 -0.24985266 1.5205954 0.45 + 305000 300.67136 -498.92059 -8669.6648 -11422.031 0.19219443 0.72441833 0.45 + 310000 305.7021 -521.59218 -8505.6751 -11304.093 0.52013748 0.4179152 0.45 + 315000 302.66313 -359.25677 -8682.4925 -11453.091 -0.26135382 1.5502155 0.45 + 320000 304.5646 441.04962 -8610.9569 -11398.962 0.41662005 0.49716319 0.45 + 325000 300.04934 -142.59053 -8698.3246 -11444.997 -0.23029219 1.4715132 0.45 + 330000 305.55522 -212.47771 -8576.3678 -11373.441 0.091594168 0.85758093 0.45 + 335000 294.79439 -151.62761 -8762.4565 -11461.024 0.14345357 0.78613362 0.45 + 340000 302.4373 463.41717 -8643.2588 -11411.79 0.36279978 0.54413438 0.45 + 345000 295.91624 -272.3623 -8678.9725 -11387.81 0.1032874 0.84092407 0.45 + 350000 300.60829 62.418773 -8633.2343 -11385.023 -0.040578988 1.0704371 0.45 + 355000 301.41802 -860.82496 -8573.5867 -11332.788 0.04947461 0.9203617 0.45 + 360000 298.03103 -265.05516 -8619.4232 -11347.619 -0.20903224 1.4199617 0.45 + 365000 298.08727 -359.76277 -8612.4898 -11341.201 0.040109682 0.93493354 0.45 + 370000 301.55162 -339.05976 -8687.3746 -11447.799 0.1705358 0.75122045 0.45 + 375000 299.3933 -290.38029 -8723.9515 -11464.618 -0.1476 1.2809266 0.45 + 380000 303.02442 -1104.7914 -8626.7252 -11400.631 0.3211992 0.58346059 0.45 + 385000 301.49421 -613.53228 -8662.2479 -11422.146 -0.42642873 2.0447796 0.45 + 390000 302.01134 -351.23257 -8662.4664 -11427.099 0.23747904 0.67142935 0.45 + 395000 307.32962 -443.86959 -8624.8646 -11438.181 0.17359502 0.74737541 0.45 + 400000 301.67955 -253.92045 -8690.6143 -11452.209 -0.43779134 2.0841261 0.45 + 405000 302.60773 -97.544471 -8646.8281 -11416.92 0.071259831 0.88733652 0.45 + 410000 302.48853 -630.99507 -8710.4497 -11479.45 0.28763517 0.61725182 0.45 + 415000 296.46562 -443.33457 -8763.0661 -11476.932 0.088532948 0.86199583 0.45 + 420000 295.37803 -70.515081 -8720.0027 -11423.913 0.06359365 0.89882065 0.45 + 425000 299.31069 -48.284153 -8678.6115 -11418.522 0.063520704 0.89893064 0.45 + 430000 296.37918 -651.48627 -8784.4246 -11497.5 -0.0094249768 1.0159351 0.45 + 435000 303.07145 -284.10404 -8558.3149 -11332.651 0.034731239 0.94340646 0.45 + 440000 293.1823 -280.18182 -8707.2432 -11391.054 0.14151034 0.78870025 0.45 + 445000 305.55617 -286.4858 -8646.9315 -11444.013 0.26166889 0.64473078 0.45 + 450000 300.67206 102.89156 -8705.2376 -11457.61 0.88202179 0.2277515 0.45 + 455000 304.23258 9.5792632 -8571.8771 -11356.843 -0.42835558 2.0513992 0.45 + 460000 292.30355 265.8009 -8707.4453 -11383.212 0.20592758 0.70792142 0.45 + 465000 297.62746 193.66269 -8716.5132 -11441.015 0.36938368 0.53815813 0.45 + 470000 292.53483 -75.549804 -8728.3188 -11406.202 0.49993961 0.43231669 0.45 + 475000 296.10181 -202.26042 -8657.5804 -11368.116 -0.29829888 1.6493239 0.45 + 480000 300.24953 249.20038 -8688.6705 -11437.175 0.4372485 0.48025452 0.45 + 485000 296.41241 -73.46156 -8558.9344 -11272.314 -0.15947631 1.3067001 0.45 + 490000 302.51379 -654.60188 -8571.28 -11340.512 0.36608136 0.54114742 0.45 + 495000 300.50497 -127.55361 -8724.7069 -11475.55 0.029571506 0.95160701 0.45 + 500000 303.60879 183.79306 -8568.3539 -11347.609 0.050255275 0.91915729 0.45 + 505000 303.19721 -181.45226 -8614.403 -11389.891 0.32941264 0.57547725 0.45 + 510000 296.74554 -22.844257 -8659.5977 -11376.026 0.017555998 0.97098101 0.45 + 515000 304.94785 184.89151 -8657.5502 -11449.063 0.36892431 0.53857296 0.45 + 520000 297.55996 -618.66865 -8737.5039 -11461.388 0.0057510291 0.99039963 0.45 + 525000 301.79028 298.59479 -8629.0889 -11391.698 0.34316268 0.56235619 0.45 + 530000 309.73127 127.43322 -8551.5448 -11386.846 0.76278829 0.27817682 0.45 + 535000 296.10155 231.50902 -8700.9183 -11411.452 0.44398766 0.47485618 0.45 + 540000 299.71005 -102.1096 -8655.905 -11399.471 0.76085637 0.27907974 0.45 + 545000 300.14982 -206.19313 -8714.8486 -11462.44 0.22627441 0.68416793 0.45 + 550000 294.79885 -643.7432 -8605.2486 -11303.857 -0.057557071 1.1013603 0.45 + 555000 294.17638 -19.930168 -8726.0381 -11418.949 0.40954478 0.50309869 0.45 + 560000 297.03199 -369.45853 -8470.404 -11189.455 -0.6540448 2.9954437 0.45 + 565000 291.48707 -349.3956 -8714.1576 -11382.45 0.16175418 0.76236802 0.45 + 570000 310.66906 -63.356318 -8637.4971 -11481.383 0.025729917 0.95775884 0.45 + 575000 300.62447 -741.10788 -8620.5725 -11372.509 0.16003059 0.76457532 0.45 + 580000 303.7169 -69.625554 -8649.3106 -11429.556 0.13011667 0.80391862 0.45 + 585000 296.8583 22.033506 -8781.0388 -11498.5 0.05826221 0.9068948 0.45 + 590000 295.12104 251.36802 -8661.2354 -11362.793 0.0042041083 0.99297285 0.45 + 595000 291.91551 264.01646 -8784.286 -11456.5 -0.3176707 1.7037977 0.45 + 600000 299.51751 -425.6209 -8680.4016 -11422.205 0.063170047 0.89945954 0.45 + 605000 296.04489 -702.56187 -8648.8336 -11358.848 0.44150563 0.47683729 0.45 + 610000 293.08062 387.21018 -8636.9022 -11319.782 0.430424 0.48578377 0.45 + 615000 300.1062 -406.07366 -8651.5383 -11398.731 0.16393273 0.75958719 0.45 + 620000 304.45492 -717.77411 -8466.6335 -11253.634 0.14754207 0.78076073 0.45 + 625000 300.25467 394.44177 -8545.7468 -11294.298 -0.098814662 1.1802796 0.45 + 630000 301.25687 315.97468 -8555.4413 -11313.167 -0.30209606 1.6598626 0.45 + 635000 296.62552 -313.8236 -8661.4264 -11376.756 0.82351209 0.25123759 0.45 + 640000 300.49659 458.65236 -8648.2545 -11399.021 -0.2575 1.5402266 0.45 + 645000 299.08458 -40.905776 -8589.4621 -11327.303 0.07180479 0.88652576 0.45 + 650000 299.78807 286.71966 -8663.8862 -11408.166 -0.10586303 1.1943167 0.45 + 655000 300.2646 175.76273 -8685.9588 -11434.601 -0.4131303 1.9996722 0.45 + 660000 296.01304 69.482635 -8722.0849 -11431.808 0.65234529 0.33479341 0.45 + 665000 307.08179 -192.78965 -8554.9636 -11366.011 0.37228163 0.53554848 0.45 + 670000 298.81489 46.512873 -8651.3386 -11386.71 -0.34071772 1.7709545 0.45 + 675000 298.09695 -320.42123 -8744.4868 -11473.286 0.21787637 0.6938739 0.45 + 680000 291.73582 -346.08326 -8809.3602 -11479.93 0.35114775 0.55487414 0.45 + 685000 299.8583 -53.573198 -8742.9543 -11487.877 -0.032502983 1.056034 0.45 + 690000 299.56857 -129.53024 -8600.751 -11343.022 0.11604588 0.82311864 0.45 + 695000 287.63895 77.534045 -8889.5114 -11522.578 0.16150699 0.76268419 0.45 + 700000 294.71917 -187.77101 -8824.4116 -11522.291 0.33093056 0.57401387 0.45 + 705000 301.78978 -269.32554 -8594.7858 -11357.39 -0.098783804 1.1802185 0.45 + 710000 305.58313 -214.43945 -8518.1241 -11315.453 -0.03149037 1.0542418 0.45 + 715000 306.30354 -121.41526 -8617.5112 -11421.435 0.10640694 0.83653526 0.45 + 720000 304.94559 91.460869 -8587.9126 -11379.405 -0.4078455 1.982024 0.45 + 725000 295.36839 -505.69412 -8724.4826 -11428.305 0.71800645 0.29987744 0.45 + 730000 298.79826 -9.9970862 -8716.023 -11451.242 0.59730469 0.36717499 0.45 + 735000 300.95964 286.58072 -8641.7744 -11396.779 0.23910326 0.66960256 0.45 + 740000 298.32007 -198.81619 -8685.7142 -11416.556 0.16840724 0.75390743 0.45 + 745000 296.06461 157.22083 -8605.3591 -11315.555 0.3149783 0.58958082 0.45 + 750000 297.27956 -277.36948 -8673.9548 -11395.272 0.058965185 0.90582605 0.45 + 755000 296.79569 203.4854 -8671.4835 -11388.371 0.097863507 0.84860972 0.45 + 760000 296.34981 -296.05791 -8699.7009 -11412.507 0.34644945 0.55926433 0.45 + 765000 302.19536 -657.32604 -8674.9726 -11441.289 -0.25940717 1.5451618 0.45 + 770000 301.91884 -775.45423 -8695.1619 -11458.947 -0.12199652 1.227079 0.45 + 775000 299.9563 -211.10367 -8637.8471 -11383.667 0.3478892 0.55791532 0.45 + 780000 296.00862 -396.64708 -8721.8097 -11431.493 0.25358512 0.65353267 0.45 + 785000 295.12431 -24.44772 -8734.6065 -11436.194 -0.19904079 1.396362 0.45 + 790000 308.18585 -171.55104 -8659.2474 -11480.402 0.30853408 0.59598847 0.45 + 795000 296.45675 -137.73831 -8648.3419 -11362.127 -0.32469954 1.7240046 0.45 + 800000 301.11214 53.405034 -8663.3832 -11419.784 0.1323728 0.800882 0.45 + 805000 305.74305 -320.69662 -8642.7722 -11441.565 0.15136393 0.77577146 0.45 + 810000 305.37725 -264.53003 -8671.4307 -11466.875 0.3113551 0.59317494 0.45 + 815000 304.38239 -240.94118 -8474.7091 -11261.046 -0.080564405 1.1446952 0.45 + 820000 296.05915 -369.13085 -8698.3399 -11408.485 -0.028085872 1.0482385 0.45 + 825000 299.79549 123.66824 -8712.0882 -11456.436 -0.36082461 1.8317026 0.45 + 830000 296.0201 231.08408 -8726.975 -11436.763 -0.22224484 1.4517833 0.45 + 835000 294.90197 -293.4635 -8750.8202 -11450.373 -0.13935283 1.2633285 0.45 + 840000 301.79184 -18.424101 -8689.643 -11452.266 0.19065717 0.72628873 0.45 + 845000 303.63406 232.88156 -8607.7816 -11387.268 0.16521847 0.75795075 0.45 + 850000 300.78823 -301.92537 -8697.521 -11450.957 0.043047914 0.93033698 0.45 + 855000 300.26171 -407.09613 -8617.7866 -11366.403 0.30989277 0.59463173 0.45 + 860000 303.77064 192.13208 -8630.0944 -11410.831 0.44012319 0.47794432 0.45 + 865000 300.12867 323.6738 -8735.2213 -11482.619 0.098660075 0.8474766 0.45 + 870000 299.40232 -213.89349 -8642.3645 -11383.114 0.1478115 0.78040795 0.45 + 875000 300.46794 23.703316 -8624.9835 -11375.487 0.021260277 0.96496648 0.45 + 880000 298.40697 20.053507 -8834.9602 -11566.598 0.25906036 0.647558 0.45 + 885000 299.89193 -56.830889 -8726.8039 -11472.035 -0.14632707 1.2781945 0.45 + 890000 297.49341 -718.63083 -8683.0987 -11406.373 0.017721028 0.97071226 0.45 + 895000 293.34825 -483.14011 -8698.5638 -11383.894 -0.34844876 1.7940698 0.45 + 900000 303.8984 71.405143 -8703.2466 -11485.153 -0.0040127852 1.0067537 0.45 + 905000 296.96955 99.337161 -8644.502 -11362.981 0.29986926 0.60471403 0.45 + 910000 294.13396 -276.63831 -8661.5829 -11354.105 -0.24102928 1.4982558 0.45 + 915000 303.26417 -43.876545 -8575.252 -11351.353 0.013417579 0.97774479 0.45 + 920000 305.27911 -346.57544 -8582.8329 -11377.379 -0.20901843 1.4199288 0.45 + 925000 307.27639 482.10278 -8628.8226 -11441.652 -0.26779925 1.5670667 0.45 + 930000 305.11633 324.47709 -8579.3587 -11372.414 0.68253083 0.31826378 0.45 + 935000 300.11916 -9.8766723 -8780.2986 -11527.61 -0.13402188 1.2520821 0.45 + 940000 295.78408 -67.021801 -8735.3706 -11442.998 0.46658388 0.45719462 0.45 + 945000 300.211 161.55245 -8703.5002 -11451.652 0.062310593 0.90075717 0.45 + 950000 302.51856 -145.81508 -8539.9241 -11309.199 0.019344642 0.96807218 0.45 + 955000 297.23872 14.140867 -8682.9686 -11403.912 -0.30285941 1.6619893 0.45 + 960000 296.19195 158.66375 -8772.8876 -11484.249 0.3298895 0.57501712 0.45 + 965000 293.56726 -302.80176 -8807.9639 -11495.298 0.16057514 0.76387726 0.45 + 970000 307.76289 234.82705 -8569.0805 -11386.363 0.40582434 0.50624817 0.45 + 975000 302.4391 -372.66289 -8569.3448 -11337.893 1.1335506 0.14935733 0.45 + 980000 292.59861 191.50447 -8796.4307 -11474.898 0.82080866 0.25237947 0.45 + 985000 301.61407 97.625218 -8720.889 -11481.885 0.12835918 0.80629208 0.45 + 990000 303.38224 -380.86284 -8666.6015 -11443.783 0.29943962 0.60514999 0.45 + 995000 299.25364 -139.10643 -8631.5948 -11370.983 0.033070141 0.94603876 0.45 + 1000000 295.67561 -191.48596 -8566.021 -11272.656 0.34200535 0.56344895 0.45 + 1005000 304.80384 39.665031 -8603.3665 -11393.562 0.75244137 0.28304697 0.45 + 1010000 298.87735 -181.49155 -8699.7359 -11435.679 0.23524427 0.67395098 0.45 + 1015000 289.92007 -182.58369 -8652.9669 -11306.915 -0.61857139 2.8224052 0.45 + 1020000 300.13923 106.07213 -8618.1949 -11365.69 0.15241071 0.77441051 0.45 + 1025000 307.39589 -312.91975 -8613.3088 -11427.232 0.44069144 0.47748897 0.45 + 1030000 298.41225 441.04111 -8696.1929 -11427.879 -0.1456028 1.2766425 0.45 + 1035000 306.71758 -95.739338 -8471.0526 -11278.766 0.69089513 0.31382964 0.45 + 1040000 302.24132 -415.80447 -8608.0891 -11374.827 0.0090309238 0.98496572 0.45 + 1045000 305.58772 -150.58406 -8563.9959 -11361.367 0.062478239 0.90050391 0.45 + 1050000 303.60025 21.785837 -8623.6613 -11402.839 0.18503623 0.73316896 0.45 + 1055000 293.38734 613.83617 -8606.7635 -11292.451 -0.2195833 1.4453164 0.45 + 1060000 305.11418 -29.208186 -8589.4319 -11382.468 -0.095889014 1.1745016 0.45 + 1065000 294.13176 470.07703 -8724.8028 -11417.305 0.28934127 0.61548789 0.45 + 1070000 309.64471 -634.00961 -8534.3395 -11368.848 -0.048186981 1.0841851 0.45 + 1075000 300.56742 -209.29645 -8615.1904 -11366.605 -0.26336339 1.5554498 0.45 + 1080000 297.94855 218.48741 -8697.7569 -11425.198 -0.0401787 1.0697186 0.45 + 1085000 308.40523 -177.4101 -8681.0198 -11504.182 0.32537753 0.57938558 0.45 + 1090000 295.63403 117.27818 -8609.1285 -11315.382 0.27576906 0.62966079 0.45 + 1095000 300.09566 635.58958 -8552.5989 -11299.695 -0.056458656 1.0993329 0.45 + 1100000 300.68272 375.84619 -8709.6822 -11462.152 0.28519281 0.61978578 0.45 + 1105000 303.34279 -980.64631 -8585.6781 -11362.499 0.34352221 0.56201715 0.45 + 1110000 304.45088 84.082657 -8606.3018 -11393.266 0.019454666 0.96789353 0.45 + 1115000 296.03894 543.18998 -8568.9408 -11278.901 0.38977572 0.5200614 0.45 + 1120000 307.38628 -200.46817 -8619.8059 -11433.641 -0.21765351 1.4406454 0.45 + 1125000 303.36463 -96.322086 -8596.6485 -11373.669 -0.050201944 1.0878558 0.45 + 1130000 295.03081 19.554539 -8820.2191 -11520.951 0.24816885 0.65949722 0.45 + 1135000 297.2534 -452.18389 -8614.3296 -11335.407 0.47102824 0.45379893 0.45 + 1140000 298.03519 -102.40026 -8663.5539 -11391.788 0.42591169 0.48947459 0.45 + 1145000 295.38879 -444.99161 -8629.1445 -11333.153 0.39655669 0.51417955 0.45 + 1150000 303.8409 -236.98919 -8595.3972 -11376.777 0.64097267 0.34124136 0.45 + 1155000 306.07517 -215.50846 -8588.4969 -11390.33 0.036055871 0.94131261 0.45 + 1160000 294.9636 -931.69596 -8675.0022 -11375.119 0.19752892 0.71796511 0.45 + 1165000 294.72276 -192.71028 -8637.3451 -11335.257 -0.00048188528 1.0008086 0.45 + 1170000 301.23614 -213.88646 -8482.7135 -11240.25 0.71933969 0.29920755 0.45 + 1175000 300.44993 375.9896 -8633.2248 -11383.564 0.30232015 0.60223308 0.45 + 1180000 300.16377 118.10917 -8654.5233 -11402.243 0.12296714 0.81361774 0.45 + 1185000 293.70358 210.30955 -8646.4181 -11335.001 0.30210616 0.6024493 0.45 + 1190000 304.75915 -651.08053 -8575.2958 -11365.082 -0.02759447 1.0473748 0.45 + 1195000 297.70391 95.378065 -8731.319 -11456.521 0.52250206 0.41626089 0.45 + 1200000 293.90642 -733.78695 -8697.185 -11387.624 0.13079675 0.80300207 0.45 + 1205000 303.05224 -511.38179 -8632.6207 -11406.781 -0.20143249 1.4019752 0.45 + 1210000 293.80664 245.08881 -8756.1441 -11445.67 0.37969913 0.52892642 0.45 + 1215000 296.59811 308.46776 -8624.2865 -11339.366 0.14440905 0.78487467 0.45 + 1220000 303.74266 188.84272 -8605.9211 -11386.402 -0.092746405 1.1683266 0.45 + 1225000 299.9013 -466.73438 -8576.203 -11321.52 0.27417371 0.63134804 0.45 + 1230000 299.66611 -174.43092 -8604.5105 -11347.674 0.47991062 0.44708777 0.45 + 1235000 295.89844 394.40733 -8789.3714 -11498.046 0.088629157 0.86185673 0.45 + 1240000 298.78384 419.34789 -8688.5635 -11423.651 0.22218371 0.68887865 0.45 + 1245000 299.90866 183.59906 -8698.2559 -11443.64 1.1590193 0.143111 0.45 + 1250000 296.01051 196.22426 -8831.5506 -11541.251 -0.04226137 1.0734621 0.45 + 1255000 292.09199 -163.44863 -8711.8649 -11385.695 0.57648767 0.38022263 0.45 + 1260000 298.83471 -194.96215 -8646.8698 -11382.423 0.10966149 0.83198091 0.45 + 1265000 302.24158 163.34413 -8653.0984 -11419.838 0.51878502 0.41886437 0.45 + 1270000 298.29186 -765.77064 -8697.9423 -11428.526 -0.40185995 1.9622238 0.45 + 1275000 300.55952 -162.42423 -8614.8996 -11366.242 -0.43706076 2.0815736 0.45 + 1280000 294.52892 156.17026 -8718.8337 -11414.971 0.010263439 0.98293149 0.45 + 1285000 301.40565 -778.44393 -8670.527 -11429.615 0.025111338 0.95875312 0.45 + 1290000 294.20057 -918.07774 -8683.4672 -11376.599 0.046386022 0.92514227 0.45 + 1295000 301.09196 -665.75324 -8687.0149 -11443.231 0.11169829 0.82914327 0.45 + 1300000 294.16167 -297.06724 -8708.7055 -11401.481 0.11765896 0.82089447 0.45 + 1305000 303.07886 -538.32897 -8514.6586 -11289.063 -0.047420749 1.0827925 0.45 + 1310000 302.36674 -40.952458 -8536.8784 -11304.764 -0.42539639 2.0412418 0.45 + 1315000 302.05477 -60.391628 -8662.9591 -11427.989 0.13452485 0.79799615 0.45 + 1320000 303.48158 71.63406 -8661.3057 -11439.397 -0.039130791 1.0678399 0.45 + 1325000 296.35737 -261.05768 -8561.6568 -11274.532 0.44670407 0.47269742 0.45 + 1330000 296.29207 -147.71061 -8543.8084 -11256.086 0.2909439 0.61383553 0.45 + 1335000 301.48737 453.77169 -8648.236 -11408.072 0.078354877 0.87683873 0.45 + 1340000 300.90975 -596.76946 -8621.8298 -11376.378 0.49429189 0.43643168 0.45 + 1345000 295.08431 -540.90158 -8694.8895 -11396.111 0.17025999 0.75156807 0.45 + 1350000 296.63006 -197.97304 -8632.9441 -11348.316 -0.29504955 1.6403589 0.45 + 1355000 305.25857 -242.97453 -8473.9923 -11268.35 0.069838933 0.88945392 0.45 + 1360000 296.22833 -151.24398 -8660.529 -11372.223 -0.28031505 1.6003133 0.45 + 1365000 301.25457 -383.71973 -8610.3716 -11368.076 -0.18330657 1.3599906 0.45 + 1370000 300.8142 -179.49364 -8641.5538 -11395.227 0.23629239 0.67276715 0.45 + 1375000 307.62118 -82.315057 -8464.9289 -11280.914 0.024560511 0.95963938 0.45 + 1380000 303.12816 -335.58742 -8512.0211 -11286.877 0.30238814 0.60216441 0.45 + 1385000 304.36118 711.2159 -8577.0597 -11363.203 0.34444857 0.56114453 0.45 + 1390000 294.15072 406.74931 -8678.8526 -11371.528 0.29195829 0.61279196 0.45 + 1395000 300.50629 -164.22554 -8592.1543 -11343.009 0.098759052 0.84733591 0.45 + 1400000 297.37345 -98.001104 -8741.5121 -11463.689 0.27444766 0.63105799 0.45 + 1405000 294.17572 -86.526127 -8712.3447 -11405.249 0.4297415 0.48634023 0.45 + 1410000 310.48104 141.84417 -8647.4854 -11489.65 0.86645808 0.23377559 0.45 + 1415000 310.06801 -433.29574 -8486.7744 -11325.158 -0.21510676 1.4345042 0.45 + 1420000 303.98547 -69.701496 -8551.8036 -11334.507 0.16419779 0.75924955 0.45 + 1425000 301.40096 -115.67827 -8639.4818 -11398.527 0.20161321 0.71306316 0.45 + 1430000 299.1258 -79.769416 -8721.6844 -11459.902 0.36298014 0.54396978 0.45 + 1435000 298.45349 180.92871 -8700.7025 -11432.766 0.43843749 0.47929766 0.45 + 1440000 299.14006 146.72026 -8675.5643 -11413.913 0.50244279 0.43050527 0.45 + 1445000 299.98035 -404.81666 -8725.6961 -11471.737 0.49995597 0.43230482 0.45 + 1450000 295.10222 59.166328 -8728.5327 -11429.918 0.04154017 0.93269286 0.45 + 1455000 292.52514 144.30376 -8743.1245 -11420.919 0.04910241 0.92093649 0.45 + 1460000 303.68948 -264.34132 -8631.6334 -11411.627 0.23528019 0.67391039 0.45 + 1465000 302.97467 98.874471 -8689.2883 -11462.739 0.21805801 0.69366252 0.45 + 1470000 294.50716 133.30708 -8625.4721 -11321.411 0.98143982 0.19276882 0.45 + 1475000 302.04729 -120.74445 -8637.7677 -11402.729 0.4707242 0.45403042 0.45 + 1480000 305.16876 -436.598 -8614.8793 -11408.415 0.27111226 0.63459852 0.45 + 1485000 297.20205 -166.62152 -8598.691 -11319.299 -0.24681532 1.5128679 0.45 + 1490000 299.73617 -126.47006 -8649.4834 -11393.289 0.47833671 0.44826968 0.45 + 1495000 295.64416 481.3869 -8697.4378 -11403.784 0.1128182 0.82758717 0.45 + 1500000 301.34876 -64.948239 -8570.0291 -11328.596 0.10524924 0.83816132 0.45 + 1505000 297.45753 538.92423 -8678.9073 -11401.854 0.15764246 0.76764423 0.45 + 1510000 304.47978 -609.79308 -8491.9652 -11279.194 0.40940159 0.50321953 0.45 + 1515000 301.26466 -130.2245 -8572.0691 -11329.866 0.89811777 0.22168463 0.45 + 1520000 306.33064 472.83128 -8553.0557 -11357.227 -0.3949103 1.9394824 0.45 + 1525000 303.77309 446.96086 -8658.8797 -11439.639 0.23907939 0.66962936 0.45 + 1530000 305.94257 -462.96121 -8683.4501 -11484.069 -0.29365623 1.6365296 0.45 + 1535000 296.45268 -725.6647 -8564.4464 -11278.194 0.031785638 0.94807932 0.45 + 1540000 297.90338 -418.20316 -8566.3092 -11293.337 0.50491901 0.42872083 0.45 + 1545000 304.3796 -281.11491 -8571.3965 -11357.708 0.26286914 0.64343405 0.45 + 1550000 296.71481 -62.772449 -8680.9078 -11397.055 0.15669974 0.76885909 0.45 + 1555000 297.50225 148.74592 -8754.0913 -11477.447 0.14286636 0.78690833 0.45 + 1560000 300.52393 373.85791 -8638.4601 -11389.477 0.089292836 0.8608978 0.45 + 1565000 295.18741 -197.82529 -8603.6291 -11305.795 0.36113621 0.54565489 0.45 + 1570000 295.50662 -297.43989 -8727.7936 -11432.881 0.24895806 0.65862474 0.45 + 1575000 306.12787 745.92559 -8609.3706 -11411.686 0.42705392 0.48853767 0.45 + 1580000 300.84367 544.00229 -8635.6029 -11389.546 -0.20268104 1.4049145 0.45 + 1585000 293.01964 208.25986 -8624.1146 -11306.436 -0.013645123 1.0231522 0.45 + 1590000 304.09 110.80761 -8602.177 -11385.837 -0.39136115 1.9279703 0.45 + 1595000 289.74205 -521.57012 -8666.417 -11318.735 0.30601242 0.59851474 0.45 + 1600000 297.3494 368.04946 -8684.986 -11406.943 0.079346518 0.87538143 0.45 + 1605000 301.19957 -293.44562 -8521.9202 -11279.121 0.49408391 0.43658396 0.45 + 1610000 299.66627 -592.72965 -8750.1489 -11493.314 -0.20726596 1.415761 0.45 + 1615000 301.32181 329.96166 -8575.077 -11333.397 0.21514479 0.69706049 0.45 + 1620000 297.46259 -575.7077 -8604.3396 -11327.332 0.051950054 0.91654801 0.45 + 1625000 301.143 -578.27016 -8622.6936 -11379.377 0.33929754 0.566014 0.45 + 1630000 301.9449 119.02272 -8744.8752 -11508.899 0.25690123 0.64990753 0.45 + 1635000 292.31769 -256.96526 -8729.3974 -11405.293 0.2041501 0.71003527 0.45 + 1640000 305.17316 -224.04815 -8619.2426 -11412.818 0.61612842 0.35576261 0.45 + 1645000 299.82547 -453.0871 -8601.8345 -11346.457 0.44515417 0.47392794 0.45 + 1650000 300.70213 -184.15313 -8604.5269 -11357.175 0.40413562 0.50768423 0.45 + 1655000 298.34797 241.12842 -8736.9407 -11468.038 0.2219039 0.68920205 0.45 + 1660000 305.65546 522.2866 -8702.2765 -11500.267 -0.093142651 1.1691034 0.45 + 1665000 296.92311 -22.202256 -8648.9808 -11367.035 0.21695848 0.69494306 0.45 + 1670000 293.71721 -216.98365 -8726.8596 -11415.567 0.062675713 0.90020567 0.45 + 1675000 302.06866 69.039243 -8665.567 -11430.724 0.0012561112 0.99789522 0.45 + 1680000 292.51483 -764.83087 -8759.3069 -11437.007 0.0022259364 0.99627318 0.45 + 1685000 300.70748 -239.98915 -8682.5295 -11435.226 0.21854685 0.69309397 0.45 + 1690000 303.31754 36.443117 -8554.7105 -11331.3 0.18904617 0.72825402 0.45 + 1695000 300.96783 -365.40002 -8606.9996 -11362.08 0.21317894 0.69936284 0.45 + 1700000 301.78038 -460.56572 -8703.0763 -11465.594 -0.074311844 1.1327524 0.45 + 1705000 299.08328 224.74817 -8680.6969 -11418.526 0.14954235 0.77814547 0.45 + 1710000 303.24064 298.73582 -8637.4191 -11413.304 -0.11628651 1.2153822 0.45 + 1715000 299.1988 535.86954 -8722.2318 -11461.118 0.51289768 0.42302132 0.45 + 1720000 300.88716 -11.654893 -8624.0905 -11378.432 0.62281958 0.35179195 0.45 + 1725000 306.59581 -286.69581 -8574.7957 -11381.394 0.3964476 0.51427364 0.45 + 1730000 302.58784 590.55523 -8670.9964 -11440.906 -0.28655798 1.6171597 0.45 + 1735000 295.17235 -60.036989 -8631.671 -11333.699 0.72231294 0.29771902 0.45 + 1740000 290.06228 -254.79282 -8715.6619 -11370.912 0.35583392 0.55052961 0.45 + 1745000 306.47487 418.58552 -8590.4226 -11395.914 -0.04975774 1.0870455 0.45 + 1750000 296.74674 -73.367187 -8727.0183 -11443.458 -0.27066543 1.5746188 0.45 + 1755000 299.03541 551.77198 -8712.6905 -11450.081 -0.35865936 1.8250619 0.45 + 1760000 288.98684 -380.17132 -8775.8546 -11421.26 -0.17754854 1.3469184 0.45 + 1765000 300.76459 -662.80282 -8671.5414 -11424.761 0.078118597 0.87718632 0.45 + 1770000 301.47287 -498.34628 -8675.582 -11435.285 0.57886218 0.37871122 0.45 + 1775000 307.18565 -70.676548 -8554.9531 -11366.951 0.38766498 0.52190597 0.45 + 1780000 302.58164 -329.49774 -8638.9781 -11408.831 0.53149245 0.41003059 0.45 + 1785000 307.4086 294.59322 -8586.4793 -11400.518 0.34963097 0.55628768 0.45 + 1790000 295.81491 -366.57154 -8756.8143 -11464.724 0.61653346 0.35552098 0.45 + 1795000 296.46712 18.92361 -8640.9928 -11354.873 0.21158778 0.70123194 0.45 + 1800000 290.9851 -805.74081 -8636.1049 -11299.802 0.36361854 0.54338759 0.45 + 1805000 291.6313 -58.207903 -8707.0768 -11376.689 0.2659117 0.6401586 0.45 + 1810000 299.14324 327.45026 -8613.3385 -11351.716 0.58264334 0.37631684 0.45 + 1815000 295.3441 37.594139 -8747.5577 -11451.158 0.10312363 0.84115511 0.45 + 1820000 297.19616 596.87014 -8601.4315 -11321.985 0.11690702 0.82193051 0.45 + 1825000 305.23709 -229.45704 -8586.9328 -11381.094 -0.070794327 1.1260885 0.45 + 1830000 308.48265 -50.225625 -8595.8609 -11419.732 0.28577292 0.61918297 0.45 + 1835000 301.67215 30.600339 -8561.9509 -11323.478 0.67464985 0.32249901 0.45 + 1840000 297.44022 -46.915689 -8760.5329 -11483.321 0.20308399 0.71130615 0.45 + 1845000 294.56439 121.7989 -8819.2766 -11515.739 -0.13859762 1.2617292 0.45 + 1850000 303.92475 63.511256 -8655.7131 -11437.861 -0.064617898 1.1144821 0.45 + 1855000 302.36347 -403.0262 -8663.1963 -11431.052 0.63223295 0.34628081 0.45 + 1860000 292.88227 124.53259 -8622.4528 -11303.517 0.21782313 0.69393587 0.45 + 1865000 299.49141 1.3922328 -8592.8243 -11334.389 0.024359522 0.95996296 0.45 + 1870000 295.36403 -1.848842 -8534.7607 -11238.543 0.53331666 0.40877784 0.45 + 1875000 299.5254 -303.35635 -8642.4199 -11384.296 0.12049946 0.8169925 0.45 + 1880000 302.15027 -233.4192 -8607.1984 -11373.102 0.42967343 0.48639576 0.45 + 1885000 293.78387 -312.31798 -8576.6303 -11265.948 0.62050206 0.35316217 0.45 + 1890000 296.33987 227.42925 -8675.0988 -11387.814 -0.2387251 1.4924762 0.45 + 1895000 296.4116 -297.41585 -8695.6693 -11409.041 0.1899345 0.72716967 0.45 + 1900000 305.04631 -744.8928 -8495.6073 -11288.022 -0.092917858 1.1686627 0.45 + 1905000 299.13767 -233.05542 -8771.8955 -11510.222 -0.053515786 1.0939196 0.45 + 1910000 301.18529 391.32364 -8594.238 -11351.309 0.17761387 0.74235415 0.45 + 1915000 304.53139 -205.26743 -8615.1863 -11402.887 -0.65441918 2.9973254 0.45 + 1920000 304.46794 75.506851 -8696.0461 -11483.166 0.28757039 0.6173189 0.45 + 1925000 295.83229 -40.226799 -8677.0683 -11385.137 0.34338584 0.56214572 0.45 + 1930000 298.91694 72.305481 -8662.7622 -11399.068 -0.45255095 2.1363683 0.45 + 1935000 297.28693 -277.78411 -8678.223 -11399.608 0.32165864 0.58301111 0.45 + 1940000 295.22194 -153.48885 -8737.0529 -11439.534 0.47753767 0.4488709 0.45 + 1945000 298.41366 0.98105216 -8615.733 -11347.432 0.061208942 0.90242323 0.45 + 1950000 298.47932 -461.39566 -8587.8993 -11320.199 0.41883297 0.49532116 0.45 + 1955000 293.30456 -530.72887 -8712.242 -11397.172 -0.052983042 1.0929425 0.45 + 1960000 307.27812 -609.68084 -8563.1295 -11375.974 0.10863685 0.83341209 0.45 + 1965000 309.21876 -661.65884 -8619.5376 -11450.147 -0.00074060514 1.0012431 0.45 + 1970000 294.16474 130.9219 -8662.5966 -11355.4 -0.048761848 1.0852311 0.45 + 1975000 293.87023 -652.42226 -8587.2681 -11277.376 -0.42701916 2.0468057 0.45 + 1980000 302.66906 -396.94893 -8576.3291 -11346.982 0.55938449 0.39128874 0.45 + 1985000 304.00863 167.22102 -8525.9503 -11308.866 -0.12417188 1.2315647 0.45 + 1990000 299.53376 -234.11494 -8528.8821 -11270.834 0.58392743 0.37550715 0.45 + 1995000 296.20959 -99.022727 -8599.3854 -11310.908 0.10920765 0.83261451 0.45 + 2000000 307.40367 -179.44965 -8545.6064 -11359.6 0.485016 0.44327537 0.45 +Loop time of 4787.7 on 1 procs for 2000000 steps with 3072 atoms + +Performance: 36.092 ns/day, 0.665 hours/ns, 417.737 timesteps/s +95.4% CPU use with 1 MPI tasks x 1 OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 1015.1 | 1015.1 | 1015.1 | 0.0 | 21.20 +Bond | 121.19 | 121.19 | 121.19 | 0.0 | 2.53 +Kspace | 3455.1 | 3455.1 | 3455.1 | 0.0 | 72.17 +Neigh | 8.7475 | 8.7475 | 8.7475 | 0.0 | 0.18 +Comm | 58.679 | 58.679 | 58.679 | 0.0 | 1.23 +Output | 0.60209 | 0.60209 | 0.60209 | 0.0 | 0.01 +Modify | 81.328 | 81.328 | 81.328 | 0.0 | 1.70 +Other | | 46.88 | | | 0.98 + +Nlocal: 3072 ave 3072 max 3072 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Nghost: 8395 ave 8395 max 8395 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Neighs: 0 ave 0 max 0 min +Histogram: 1 0 0 0 0 0 0 0 0 0 + +Total # of neighbors = -1 +Ave neighs/atom = -0.00032552083 +Ave special neighs/atom = 2 +Neighbor list builds = 93794 +Dangerous builds = 0 + +Total wall time: 1:31:34 diff --git a/examples/PACKAGES/fep/ta/spce.fep.ta b/examples/PACKAGES/fep/ta/spce.fep.ta new file mode 100644 index 0000000000..7ed4013d65 --- /dev/null +++ b/examples/PACKAGES/fep/ta/spce.fep.ta @@ -0,0 +1,22 @@ +# Time-averaged data for fix FEP +# TimeStep c_TA[1] c_TA[2] c_TA[3] v_gamma_v +100000 0.168677 0.863546 0.45 65.7437 +200000 0.169722 0.861354 0.45 66.6859 +300000 0.165507 0.868407 0.45 63.1899 +400000 0.162311 0.875704 0.45 60.7859 +500000 0.165468 0.872729 0.45 63.2053 +600000 0.165267 0.873825 0.45 63.1828 +700000 0.167824 0.869356 0.45 65.1722 +800000 0.170332 0.866538 0.45 67.0749 +900000 0.164396 0.875043 0.45 62.4639 +1000000 0.164738 0.87663 0.45 62.5659 +1100000 0.168395 0.870496 0.45 65.415 +1200000 0.170147 0.867104 0.45 66.7132 +1300000 0.170509 0.866709 0.45 66.9833 +1400000 0.171152 0.865294 0.45 67.5598 +1500000 0.172363 0.863433 0.45 68.547 +1600000 0.171538 0.864062 0.45 67.8359 +1700000 0.171662 0.864029 0.45 67.9145 +1800000 0.170202 0.866069 0.45 66.7697 +1900000 0.171403 0.864162 0.45 67.6313 +2000000 0.170962 0.864753 0.45 67.2314 diff --git a/lib/gpu/Makefile.hip b/lib/gpu/Makefile.hip index d5391f7d6b..9b6087bcc3 100644 --- a/lib/gpu/Makefile.hip +++ b/lib/gpu/Makefile.hip @@ -28,6 +28,11 @@ HIP_HOST_INCLUDE += -I./ # path to hipcub HIP_HOST_INCLUDE += -I$(HIP_PATH)/../include +ifeq (amd,$(HIP_PLATFORM)) + # newer version of ROCm (5.1+) require c++14 for rocprim + HIP_OPTS += -std=c++14 +endif + # use mpi HIP_HOST_OPTS += -DMPI_GERYON -DUCL_NO_EXIT # this settings should match LAMMPS Makefile diff --git a/python/lammps/mliap/__init__.py b/python/lammps/mliap/__init__.py index 0d63cc810b..57fe97d803 100644 --- a/python/lammps/mliap/__init__.py +++ b/python/lammps/mliap/__init__.py @@ -5,7 +5,14 @@ import sysconfig import ctypes library = sysconfig.get_config_vars('INSTSONAME')[0] -pylib = ctypes.CDLL(library) +try: + pylib = ctypes.CDLL(library) +except OSError as e: + if pylib.endswith(".a"): + pylib.strip(".a") + ".so" + pylib = ctypes.CDLL(library) + else: + raise e if not pylib.Py_IsInitialized(): raise RuntimeError("This interpreter is not compatible with python-based mliap for LAMMPS.") del sysconfig, ctypes, library, pylib diff --git a/python/lammps/mliap/pytorch.py b/python/lammps/mliap/pytorch.py index 7ec6c2552a..9aa2da80f4 100644 --- a/python/lammps/mliap/pytorch.py +++ b/python/lammps/mliap/pytorch.py @@ -19,10 +19,75 @@ import numpy as np import torch def calc_n_params(model): + """ + Returns the sum of two decimal numbers in binary digits. + + Parameters: + model (torch.nn.Module): Network model that maps descriptors to a per atom attribute + + Returns: + n_params (int): Number of NN model parameters + """ return sum(p.nelement() for p in model.parameters()) class TorchWrapper(torch.nn.Module): - def __init__(self, model,n_descriptors,n_elements,n_params=None,device=None,dtype=torch.float64): + """ + A class to wrap Modules to ensure lammps mliap compatability. + + ... + + Attributes + ---------- + model : torch.nn.Module + Network model that maps descriptors to a per atom attribute + + device : torch.nn.Module (None) + Accelerator device + + dtype : torch.dtype (torch.float64) + Dtype to use on device + + n_params : torch.nn.Module (None) + Number of NN model parameters + + n_descriptors : int + Max number of per atom descriptors + + n_elements : int + Max number of elements + + + Methods + ------- + forward(descriptors, elems): + Feeds descriptors to network model to produce per atom energies and forces. + """ + + def __init__(self, model, n_descriptors, n_elements, n_params=None, device=None, dtype=torch.float64): + """ + Constructs all the necessary attributes for the network module. + + Parameters + ---------- + model : torch.nn.Module + Network model that maps descriptors to a per atom attribute + + n_descriptors : int + Max number of per atom descriptors + + n_elements : int + Max number of elements + + n_params : torch.nn.Module (None) + Number of NN model parameters + + device : torch.nn.Module (None) + Accelerator device + + dtype : torch.dtype (torch.float64) + Dtype to use on device + """ + super().__init__() self.model = model @@ -40,26 +105,222 @@ class TorchWrapper(torch.nn.Module): self.n_descriptors = n_descriptors self.n_elements = n_elements - def forward(self, elems, bispectrum, beta, energy): + def forward(self, elems, descriptors, beta, energy): + """ + Takes element types and descriptors calculated via lammps and + calculates the per atom energies and forces. - bispectrum = torch.from_numpy(bispectrum).to(dtype=self.dtype, device=self.device).requires_grad_(True) + Parameters + ---------- + elems : numpy.array + Per atom element types + + descriptors : numpy.array + Per atom descriptors + + beta : numpy.array + Expired beta array to be filled with new betas + + energy : numpy.array + Expired per atom energy array to be filled with new per atom energy + (Note: This is a pointer to the lammps per atom energies) + + + Returns + ------- + None + """ + + descriptors = torch.from_numpy(descriptors).to(dtype=self.dtype, device=self.device).requires_grad_(True) elems = torch.from_numpy(elems).to(dtype=torch.long, device=self.device) - 1 with torch.autograd.enable_grad(): - energy_nn = self.model(bispectrum, elems) + energy_nn = self.model(descriptors, elems) if energy_nn.ndim > 1: energy_nn = energy_nn.flatten() - beta_nn = torch.autograd.grad(energy_nn.sum(), bispectrum)[0] + beta_nn = torch.autograd.grad(energy_nn.sum(), descriptors)[0] beta[:] = beta_nn.detach().cpu().numpy().astype(np.float64) energy[:] = energy_nn.detach().cpu().numpy().astype(np.float64) + class IgnoreElems(torch.nn.Module): - def __init__(self,subnet): + """ + A class to represent a NN model agnostic of element typing. + + ... + + Attributes + ---------- + subnet : torch.nn.Module + Network model that maps descriptors to a per atom attribute + + Methods + ------- + forward(descriptors, elems): + Feeds descriptors to network model + """ + + def __init__(self, subnet): + """ + Constructs all the necessary attributes for the network module. + + Parameters + ---------- + subnet : torch.nn.Module + Network model that maps descriptors to a per atom attribute + """ + super().__init__() self.subnet = subnet - def forward(self,bispectrum,elems): - return self.subnet(bispectrum) + def forward(self, descriptors, elems): + """ + Feeds descriptors to network model + + Parameters + ---------- + descriptors : torch.tensor + Per atom descriptors + + elems : torch.tensor + Per atom element types + + Returns + ------- + self.subnet(descriptors) : torch.tensor + Per atom attribute computed by the network model + """ + + return self.subnet(descriptors) + + +class UnpackElems(torch.nn.Module): + """ + A class to represent a NN model pseudo-agnostic of element typing for + systems with multiple element typings. + + ... + + Attributes + ---------- + subnet : torch.nn.Module + Network model that maps descriptors to a per atom attribute + + n_types : int + Number of atom types used in training the NN model. + + Methods + ------- + forward(descriptors, elems): + Feeds descriptors to network model after adding zeros into + descriptor columns relating to different atom types + """ + + def __init__(self, subnet, n_types): + """ + Constructs all the necessary attributes for the network module. + + Parameters + ---------- + subnet : torch.nn.Module + Network model that maps descriptors to a per atom attribute. + + n_types : int + Number of atom types used in training the NN model. + """ + super().__init__() + self.subnet = subnet + self.n_types = n_types + + def forward(self, descriptors, elems): + """ + Feeds descriptors to network model after adding zeros into + descriptor columns relating to different atom types + + Parameters + ---------- + descriptors : torch.tensor + Per atom descriptors + + elems : torch.tensor + Per atom element types + + Returns + ------- + self.subnet(descriptors) : torch.tensor + Per atom attribute computed by the network model + """ + + unpacked_descriptors = torch.zeros(elems.shape[0], self.n_types, descriptors.shape[1], dtype=torch.float64) + for i, ind in enumerate(elems): + unpacked_descriptors[i, ind, :] = descriptors[i] + return self.subnet(torch.reshape(unpacked_descriptors, (elems.shape[0], -1)), elems) + + +class ElemwiseModels(torch.nn.Module): + """ + A class to represent a NN model dependent on element typing. + + ... + + Attributes + ---------- + subnets : list of torch.nn.Modules + Per element type network models that maps per element type + descriptors to a per atom attribute. + + n_types : int + Number of atom types used in training the NN model. + + Methods + ------- + forward(descriptors, elems): + Feeds descriptors to network model after adding zeros into + descriptor columns relating to different atom types + """ + + def __init__(self, subnets, n_types): + """ + Constructs all the necessary attributes for the network module. + + Parameters + ---------- + subnets : list of torch.nn.Modules + Per element type network models that maps per element + type descriptors to a per atom attribute. + + n_types : int + Number of atom types used in training the NN model. + """ + + super().__init__() + self.subnets = subnets + self.n_types = n_types + + def forward(self, descriptors, elems): + """ + Feeds descriptors to network model after adding zeros into + descriptor columns relating to different atom types + + Parameters + ---------- + descriptors : torch.tensor + Per atom descriptors + + elems : torch.tensor + Per atom element types + + Returns + ------- + self.subnets(descriptors) : torch.tensor + Per atom attribute computed by the network model + """ + + per_atom_attributes = torch.zeros(elems.size[0]) + given_elems, elem_indices = torch.unique(elems, return_inverse=True) + for i, elem in enumerate(given_elems): + per_atom_attribute[elem_indices == i] = self.subnets[elem](descriptors[elem_indices == i]) + return per_atom_attributes diff --git a/src/.gitignore b/src/.gitignore index 30eb498043..97e6590a2b 100644 --- a/src/.gitignore +++ b/src/.gitignore @@ -460,6 +460,8 @@ /compute_fabric.h /compute_fep.cpp /compute_fep.h +/compute_fep_ta.cpp +/compute_fep_ta.h /compute_force_tally.cpp /compute_force_tally.h /compute_gyration_shape.cpp diff --git a/src/DPD-BASIC/pair_dpd.cpp b/src/DPD-BASIC/pair_dpd.cpp index caa8161573..b16be8d212 100644 --- a/src/DPD-BASIC/pair_dpd.cpp +++ b/src/DPD-BASIC/pair_dpd.cpp @@ -46,6 +46,8 @@ PairDPD::PairDPD(LAMMPS *lmp) : Pair(lmp) PairDPD::~PairDPD() { + if (copymode) return; + if (allocated) { memory->destroy(setflag); memory->destroy(cutsq); diff --git a/src/DPD-BASIC/pair_dpd.h b/src/DPD-BASIC/pair_dpd.h index 796228878c..2a08c60376 100644 --- a/src/DPD-BASIC/pair_dpd.h +++ b/src/DPD-BASIC/pair_dpd.h @@ -49,7 +49,7 @@ class PairDPD : public Pair { double **sigma; class RanMars *random; - void allocate(); + virtual void allocate(); }; } // namespace LAMMPS_NS diff --git a/src/DPD-BASIC/pair_dpd_ext.cpp b/src/DPD-BASIC/pair_dpd_ext.cpp index 5e45790913..19cce06d5e 100644 --- a/src/DPD-BASIC/pair_dpd_ext.cpp +++ b/src/DPD-BASIC/pair_dpd_ext.cpp @@ -47,6 +47,8 @@ PairDPDExt::PairDPDExt(LAMMPS *lmp) : Pair(lmp) PairDPDExt::~PairDPDExt() { + if (copymode) return; + if (allocated) { memory->destroy(setflag); memory->destroy(cutsq); diff --git a/src/DPD-BASIC/pair_dpd_ext.h b/src/DPD-BASIC/pair_dpd_ext.h index 66df395406..eae8fd9f1d 100644 --- a/src/DPD-BASIC/pair_dpd_ext.h +++ b/src/DPD-BASIC/pair_dpd_ext.h @@ -45,12 +45,12 @@ class PairDPDExt : public Pair { double cut_global, temperature; int seed; double **cut; - double **a0, **gamma, **gammaII, **gammaT; + double **a0, **gamma, **gammaT; double **sigma, **sigmaT; double **ws, **wsT; class RanMars *random; - void allocate(); + virtual void allocate(); }; } // namespace LAMMPS_NS diff --git a/src/Depend.sh b/src/Depend.sh index 5123354b1c..1de6edbb63 100755 --- a/src/Depend.sh +++ b/src/Depend.sh @@ -73,6 +73,7 @@ fi if (test $1 = "DPD-BASIC") then depend GPU + depend KOKKOS depend OPENMP depend INTEL fi diff --git a/src/FEP/Install.sh b/src/FEP/Install.sh index c6e7a53aa1..1d7a1c7a48 100755 --- a/src/FEP/Install.sh +++ b/src/FEP/Install.sh @@ -30,6 +30,8 @@ action () { action compute_fep.cpp action compute_fep.h +action compute_fep_ta.cpp +action compute_fep_ta.h action fix_adapt_fep.cpp action fix_adapt_fep.h action pair_coul_cut_soft.cpp diff --git a/src/FEP/compute_fep_ta.cpp b/src/FEP/compute_fep_ta.cpp new file mode 100644 index 0000000000..70fdb5c0b0 --- /dev/null +++ b/src/FEP/compute_fep_ta.cpp @@ -0,0 +1,517 @@ +/* ---------------------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + https://www.lammps.org/, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. +------------------------------------------------------------------------- */ + +/* ---------------------------------------------------------------------- + Contributing author: Shifeng Ke (Zhejiang University) +------------------------------------------------------------------------- */ + +#include "compute_fep_ta.h" + +#include "angle.h" +#include "atom.h" +#include "bond.h" +#include "comm.h" +#include "dihedral.h" +#include "domain.h" +#include "error.h" +#include "fix.h" +#include "force.h" +#include "improper.h" +#include "kspace.h" +#include "memory.h" +#include "modify.h" +#include "neighbor.h" +#include "pair.h" +#include "timer.h" +#include "update.h" + +#include +#include + +using namespace LAMMPS_NS; + +enum { X, Y, Z }; + +/* ---------------------------------------------------------------------- */ + +ComputeFEPTA::ComputeFEPTA(LAMMPS *lmp, int narg, char **arg) : Compute(lmp, narg, arg) +{ + if (narg < 6) error->all(FLERR, "Illegal number of arguments in compute fep/ta"); + + scalar_flag = 0; + vector_flag = 1; + size_vector = 3; + extvector = 0; + + vector = new double[size_vector]; + + fepinitflag = 0; // avoid init to run entirely when called by write_data + + temp_fep = utils::numeric(FLERR, arg[3], false, lmp); + + if (strcmp(arg[4], "xy") == 0) { + tan_axis1 = X; + tan_axis2 = Y; + norm_axis = Z; + } else if (strcmp(arg[4], "xz") == 0) { + tan_axis1 = X; + tan_axis2 = Z; + norm_axis = Y; + } else if (strcmp(arg[4], "yz") == 0) { + tan_axis1 = Y; + tan_axis2 = Z; + norm_axis = X; + } else + error->all(FLERR, "Illegal arguments in compute fep/ta"); + + scale_factor = utils::numeric(FLERR, arg[5], false, lmp); + + // optional keywords + + tailflag = 0; + + int iarg = 6; + while (iarg < narg) { + if (strcmp(arg[iarg], "tail") == 0) { + if (iarg + 2 > narg) error->all(FLERR, "Illegal optional keyword in compute fep/ta"); + tailflag = utils::logical(FLERR, arg[iarg + 1], false, lmp); + iarg += 2; + } else + error->all(FLERR, "Illegal optional keyword in compute fep/ta"); + } + + // allocate space for position, force, energy, virial arrays + + x_orig = nullptr; + f_orig = nullptr; + peatom_orig = keatom_orig = nullptr; + pvatom_orig = kvatom_orig = nullptr; + + allocate_storage(); + + fixgpu = nullptr; +} + +/* ---------------------------------------------------------------------- */ + +ComputeFEPTA::~ComputeFEPTA() +{ + delete[] vector; + + deallocate_storage(); +} + +/* ---------------------------------------------------------------------- */ + +void ComputeFEPTA::init() +{ + int i, j; + + if (!fepinitflag) // avoid init to run entirely when called by write_data + fepinitflag = 1; + else + return; + + // setup and error checks + + if (domain->dimension == 2) { error->all(FLERR, "Cannot compute fep/ta in 2d simulation"); } + + if (tailflag) { + if (force->pair->tail_flag == 0) + error->all(FLERR, + "Compute fep/ta tail when pair style does not " + "compute tail corrections"); + } + + // detect if package gpu is present + + int ifixgpu = modify->find_fix("package_gpu"); + if (ifixgpu >= 0) fixgpu = modify->fix[ifixgpu]; + + if (comm->me == 0) { + auto mesg = fmt::format("FEP/TA settings ...\n temperature = {:f}\n", temp_fep); + mesg += fmt::format(" scale factor = {:f}\n", scale_factor); + mesg += fmt::format(" tail {}\n", (tailflag ? "yes" : "no")); + utils::logmesg(lmp, mesg); + } +} + +/* ---------------------------------------------------------------------- */ + +void ComputeFEPTA::compute_vector() +{ + double pe0, pe1; + + eflag = 1; + vflag = 0; + + invoked_vector = update->ntimestep; + + if (atom->nmax > nmax) { // reallocate working arrays if necessary + deallocate_storage(); + allocate_storage(); + } + + backup_xfev(); // backup position, force, energy, virial array values + backup_box(); // backup box size + + timer->stamp(); + if (force->pair && force->pair->compute_flag) { + force->pair->compute(eflag, vflag); + timer->stamp(Timer::PAIR); + } + + if (atom->molecular != Atom::ATOMIC) { + if (force->bond) force->bond->compute(eflag, vflag); + if (force->angle) force->angle->compute(eflag, vflag); + if (force->dihedral) force->dihedral->compute(eflag, vflag); + if (force->improper) force->improper->compute(eflag, vflag); + timer->stamp(Timer::BOND); + } + + if (force->kspace && force->kspace->compute_flag) { + force->kspace->compute(eflag, vflag); + timer->stamp(Timer::KSPACE); + } + + // accumulate force/energy/virial from /gpu pair styles + // this is required as to empty the answer queue, + // otherwise the force compute on the GPU in the next step would be incorrect + if (fixgpu) fixgpu->post_force(vflag); + + pe0 = compute_pe(); + + change_box(); + + timer->stamp(); + if (force->pair && force->pair->compute_flag) { + force->pair->compute(eflag, vflag); + timer->stamp(Timer::PAIR); + } + + if (atom->molecular != Atom::ATOMIC) { + if (force->bond) force->bond->compute(eflag, vflag); + if (force->angle) force->angle->compute(eflag, vflag); + if (force->dihedral) force->dihedral->compute(eflag, vflag); + if (force->improper) force->improper->compute(eflag, vflag); + timer->stamp(Timer::BOND); + } + + if (force->kspace && force->kspace->compute_flag) { + force->kspace->compute(eflag, vflag); + timer->stamp(Timer::KSPACE); + } + + // accumulate force/energy/virial from /gpu pair styles + // this is required as to empty the answer queue, + // otherwise the force compute on the GPU in the next step would be incorrect + if (fixgpu) fixgpu->post_force(vflag); + + pe1 = compute_pe(); + + restore_xfev(); // restore position, force, energy, virial array values + restore_box(); // restore box size + + vector[0] = pe1 - pe0; + vector[1] = exp(-(pe1 - pe0) / (force->boltz * temp_fep)); + vector[2] = area_orig * (scale_factor - 1.0); +} + +/* ---------------------------------------------------------------------- + obtain potential energy from lammps accumulators +------------------------------------------------------------------------- */ + +double ComputeFEPTA::compute_pe() +{ + double eng, eng_potential; + + eng = 0.0; + if (force->pair) eng = force->pair->eng_vdwl + force->pair->eng_coul; + + if (atom->molecular != Atom::ATOMIC) { + if (force->bond) eng += force->bond->energy; + if (force->angle) eng += force->angle->energy; + if (force->dihedral) eng += force->dihedral->energy; + if (force->improper) eng += force->improper->energy; + } + + MPI_Allreduce(&eng, &eng_potential, 1, MPI_DOUBLE, MPI_SUM, world); + + if (tailflag) { + double volume = domain->xprd * domain->yprd * domain->zprd; + eng_potential += force->pair->etail / volume; + } + + if (force->kspace) eng_potential += force->kspace->energy; + + return eng_potential; +} + +/* ---------------------------------------------------------------------- + apply changes to box +------------------------------------------------------------------------- */ + +void ComputeFEPTA::change_box() +{ + int i; + double **x = atom->x; + int natom = atom->nlocal + atom->nghost; + + for (i = 0; i < natom; i++) domain->x2lamda(x[i], x[i]); + + domain->boxhi[tan_axis1] *= sqrt(scale_factor); + domain->boxlo[tan_axis1] *= sqrt(scale_factor); + domain->boxhi[tan_axis2] *= sqrt(scale_factor); + domain->boxlo[tan_axis2] *= sqrt(scale_factor); + domain->boxhi[norm_axis] /= scale_factor; + domain->boxlo[norm_axis] /= scale_factor; + + domain->set_global_box(); + domain->set_local_box(); + + // remap atom position + for (i = 0; i < natom; i++) domain->lamda2x(x[i], x[i]); + + if (force->kspace) force->kspace->setup(); +} + +/* ---------------------------------------------------------------------- + backup box size +------------------------------------------------------------------------- */ + +void ComputeFEPTA::backup_box() +{ + for (int i = 0; i < domain->dimension; i++) { + boxhi_orig[i] = domain->boxhi[i]; + boxlo_orig[i] = domain->boxlo[i]; + } + + area_orig = domain->prd[tan_axis1] * domain->prd[tan_axis2]; +} + +/* ---------------------------------------------------------------------- + restore box size to original values +------------------------------------------------------------------------- */ + +void ComputeFEPTA::restore_box() +{ + for (int i = 0; i < domain->dimension; i++) { + domain->boxhi[i] = boxhi_orig[i]; + domain->boxlo[i] = boxlo_orig[i]; + } + + domain->set_global_box(); + domain->set_local_box(); + + if (force->kspace) force->kspace->setup(); +} + +/* ---------------------------------------------------------------------- + manage storage for position, force, energy, virial arrays +------------------------------------------------------------------------- */ + +void ComputeFEPTA::allocate_storage() +{ + nmax = atom->nmax; + memory->create(x_orig, nmax, 3, "fep:x_orig"); + memory->create(f_orig, nmax, 3, "fep:f_orig"); + memory->create(peatom_orig, nmax, "fep:peatom_orig"); + memory->create(pvatom_orig, nmax, 6, "fep:pvatom_orig"); + if (force->kspace) { + memory->create(keatom_orig, nmax, "fep:keatom_orig"); + memory->create(kvatom_orig, nmax, 6, "fep:kvatom_orig"); + } +} + +/* ---------------------------------------------------------------------- */ + +void ComputeFEPTA::deallocate_storage() +{ + memory->destroy(x_orig); + memory->destroy(f_orig); + memory->destroy(peatom_orig); + memory->destroy(pvatom_orig); + memory->destroy(keatom_orig); + memory->destroy(kvatom_orig); + + x_orig = nullptr; + f_orig = nullptr; + peatom_orig = keatom_orig = nullptr; + pvatom_orig = kvatom_orig = nullptr; +} + +/* ---------------------------------------------------------------------- + backup and restore arrays with position, force, energy, virial +------------------------------------------------------------------------- */ + +void ComputeFEPTA::backup_xfev() +{ + int i; + + int natom = atom->nlocal + atom->nghost; + + double **x = atom->x; + for (i = 0; i < natom; i++) { + x_orig[i][0] = x[i][0]; + x_orig[i][1] = x[i][1]; + x_orig[i][2] = x[i][2]; + } + + double **f = atom->f; + for (i = 0; i < natom; i++) { + f_orig[i][0] = f[i][0]; + f_orig[i][1] = f[i][1]; + f_orig[i][2] = f[i][2]; + } + + eng_vdwl_orig = force->pair->eng_vdwl; + eng_coul_orig = force->pair->eng_coul; + + if (atom->molecular != Atom::ATOMIC) { + if (force->bond) eng_bond_orig = force->bond->energy; + if (force->angle) eng_angle_orig = force->angle->energy; + if (force->dihedral) eng_dihedral_orig = force->dihedral->energy; + if (force->improper) eng_improper_orig = force->improper->energy; + } + + pvirial_orig[0] = force->pair->virial[0]; + pvirial_orig[1] = force->pair->virial[1]; + pvirial_orig[2] = force->pair->virial[2]; + pvirial_orig[3] = force->pair->virial[3]; + pvirial_orig[4] = force->pair->virial[4]; + pvirial_orig[5] = force->pair->virial[5]; + + if (update->eflag_atom) { + double *peatom = force->pair->eatom; + for (i = 0; i < natom; i++) peatom_orig[i] = peatom[i]; + } + if (update->vflag_atom) { + double **pvatom = force->pair->vatom; + for (i = 0; i < natom; i++) { + pvatom_orig[i][0] = pvatom[i][0]; + pvatom_orig[i][1] = pvatom[i][1]; + pvatom_orig[i][2] = pvatom[i][2]; + pvatom_orig[i][3] = pvatom[i][3]; + pvatom_orig[i][4] = pvatom[i][4]; + pvatom_orig[i][5] = pvatom[i][5]; + } + } + + if (force->kspace) { + energy_orig = force->kspace->energy; + kvirial_orig[0] = force->kspace->virial[0]; + kvirial_orig[1] = force->kspace->virial[1]; + kvirial_orig[2] = force->kspace->virial[2]; + kvirial_orig[3] = force->kspace->virial[3]; + kvirial_orig[4] = force->kspace->virial[4]; + kvirial_orig[5] = force->kspace->virial[5]; + + if (update->eflag_atom) { + double *keatom = force->kspace->eatom; + for (i = 0; i < natom; i++) keatom_orig[i] = keatom[i]; + } + if (update->vflag_atom) { + double **kvatom = force->kspace->vatom; + for (i = 0; i < natom; i++) { + kvatom_orig[i][0] = kvatom[i][0]; + kvatom_orig[i][1] = kvatom[i][1]; + kvatom_orig[i][2] = kvatom[i][2]; + kvatom_orig[i][3] = kvatom[i][3]; + kvatom_orig[i][4] = kvatom[i][4]; + kvatom_orig[i][5] = kvatom[i][5]; + } + } + } +} + +/* ---------------------------------------------------------------------- */ + +void ComputeFEPTA::restore_xfev() +{ + int i; + + int natom = atom->nlocal + atom->nghost; + + double **x = atom->x; + for (i = 0; i < natom; i++) { + x[i][0] = x_orig[i][0]; + x[i][1] = x_orig[i][1]; + x[i][2] = x_orig[i][2]; + } + + double **f = atom->f; + for (i = 0; i < natom; i++) { + f[i][0] = f_orig[i][0]; + f[i][1] = f_orig[i][1]; + f[i][2] = f_orig[i][2]; + } + + force->pair->eng_vdwl = eng_vdwl_orig; + force->pair->eng_coul = eng_coul_orig; + + if (atom->molecular != Atom::ATOMIC) { + if (force->bond) force->bond->energy = eng_bond_orig; + if (force->angle) force->angle->energy = eng_angle_orig; + if (force->dihedral) force->dihedral->energy = eng_dihedral_orig; + if (force->improper) force->improper->energy = eng_improper_orig; + } + + force->pair->virial[0] = pvirial_orig[0]; + force->pair->virial[1] = pvirial_orig[1]; + force->pair->virial[2] = pvirial_orig[2]; + force->pair->virial[3] = pvirial_orig[3]; + force->pair->virial[4] = pvirial_orig[4]; + force->pair->virial[5] = pvirial_orig[5]; + + if (update->eflag_atom) { + double *peatom = force->pair->eatom; + for (i = 0; i < natom; i++) peatom[i] = peatom_orig[i]; + } + if (update->vflag_atom) { + double **pvatom = force->pair->vatom; + for (i = 0; i < natom; i++) { + pvatom[i][0] = pvatom_orig[i][0]; + pvatom[i][1] = pvatom_orig[i][1]; + pvatom[i][2] = pvatom_orig[i][2]; + pvatom[i][3] = pvatom_orig[i][3]; + pvatom[i][4] = pvatom_orig[i][4]; + pvatom[i][5] = pvatom_orig[i][5]; + } + } + + if (force->kspace) { + force->kspace->energy = energy_orig; + force->kspace->virial[0] = kvirial_orig[0]; + force->kspace->virial[1] = kvirial_orig[1]; + force->kspace->virial[2] = kvirial_orig[2]; + force->kspace->virial[3] = kvirial_orig[3]; + force->kspace->virial[4] = kvirial_orig[4]; + force->kspace->virial[5] = kvirial_orig[5]; + + if (update->eflag_atom) { + double *keatom = force->kspace->eatom; + for (i = 0; i < natom; i++) keatom[i] = keatom_orig[i]; + } + if (update->vflag_atom) { + double **kvatom = force->kspace->vatom; + for (i = 0; i < natom; i++) { + kvatom[i][0] = kvatom_orig[i][0]; + kvatom[i][1] = kvatom_orig[i][1]; + kvatom[i][2] = kvatom_orig[i][2]; + kvatom[i][3] = kvatom_orig[i][3]; + kvatom[i][4] = kvatom_orig[i][4]; + kvatom[i][5] = kvatom_orig[i][5]; + } + } + } +} diff --git a/src/FEP/compute_fep_ta.h b/src/FEP/compute_fep_ta.h new file mode 100644 index 0000000000..b95266eb1a --- /dev/null +++ b/src/FEP/compute_fep_ta.h @@ -0,0 +1,89 @@ +/* -*- c++ -*- ---------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + https://www.lammps.org/, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. +------------------------------------------------------------------------- */ + +/* ---------------------------------------------------------------------- + Contributing author: Shifeng Ke (Zhejiang University) +------------------------------------------------------------------------- */ + +#ifdef COMPUTE_CLASS +// clang-format off +ComputeStyle(fep/ta,ComputeFEPTA); +// clang-format on +#else + +#ifndef COMPUTE_FEP_TA_H +#define COMPUTE_FEP_TA_H + +#include "compute.h" + +namespace LAMMPS_NS { + +class ComputeFEPTA : public Compute { + public: + ComputeFEPTA(class LAMMPS *, int, char **); // compute ID groupID fep/ta temp xy/xz/yz scale_factor + ~ComputeFEPTA() override; + void init() override; + void compute_vector() override; + + private: + int tailflag; + int fepinitflag; + int eflag, vflag; + double temp_fep; + double scale_factor; + int tan_axis1, tan_axis2, norm_axis; + + double boxlo_orig[3], boxhi_orig[3]; + double area_orig; + + int nmax; + double **x_orig; + double **f_orig; + double eng_vdwl_orig, eng_coul_orig; + double eng_bond_orig, eng_angle_orig, eng_dihedral_orig, eng_improper_orig; + double pvirial_orig[6]; + double *peatom_orig, **pvatom_orig; + double energy_orig; + double kvirial_orig[6]; + double *keatom_orig, **kvatom_orig; + + class Fix *fixgpu; + + double compute_pe(); + void change_box(); + void backup_box(); + void restore_box(); + void allocate_storage(); + void deallocate_storage(); + void backup_xfev(); + void restore_xfev(); +}; + +} // namespace LAMMPS_NS + +#endif +#endif + +/* ERROR/WARNING messages: + +E: Illegal ... command + +Self-explanatory. Check the input script syntax and compare to the +documentation for the command. You can use -echo screen as a +command-line option when running LAMMPS to see the offending line. + +E: Cannot compute fep/ta in 2d simulation + +Self-explanatory. + +*/ diff --git a/src/KOKKOS/Install.sh b/src/KOKKOS/Install.sh index f56ab45914..65ac13c061 100755 --- a/src/KOKKOS/Install.sh +++ b/src/KOKKOS/Install.sh @@ -230,6 +230,14 @@ action pair_coul_long_kokkos.cpp pair_coul_long.cpp action pair_coul_long_kokkos.h pair_coul_long.h action pair_coul_wolf_kokkos.cpp action pair_coul_wolf_kokkos.h +action pair_dpd_kokkos.h pair_dpd.h +action pair_dpd_kokkos.cpp pair_dpd.cpp +action pair_dpd_ext_kokkos.cpp pair_dpd_ext.cpp +action pair_dpd_ext_kokkos.h pair_dpd_ext.h +action pair_dpd_ext_tstat_kokkos.h pair_dpd_ext_tstat.h +action pair_dpd_ext_tstat_kokkos.cpp pair_dpd_ext_tstat.cpp +action pair_dpd_tstat_kokkos.h pair_dpd_tstat.h +action pair_dpd_tstat_kokkos.cpp pair_dpd_tstat.cpp action pair_dpd_fdt_energy_kokkos.cpp pair_dpd_fdt_energy.cpp action pair_dpd_fdt_energy_kokkos.h pair_dpd_fdt_energy.h action pair_eam_kokkos.cpp pair_eam.cpp diff --git a/src/KOKKOS/fix_acks2_reaxff_kokkos.cpp b/src/KOKKOS/fix_acks2_reaxff_kokkos.cpp index d8fbe32b9a..aab19e0d47 100644 --- a/src/KOKKOS/fix_acks2_reaxff_kokkos.cpp +++ b/src/KOKKOS/fix_acks2_reaxff_kokkos.cpp @@ -205,7 +205,6 @@ void FixACKS2ReaxFFKokkos::pre_force(int vflag) type = atomKK->k_type.view(); mask = atomKK->k_mask.view(); nlocal = atomKK->nlocal; - nall = atom->nlocal + atom->nghost; newton_pair = force->newton_pair; k_params.template sync(); @@ -219,7 +218,7 @@ void FixACKS2ReaxFFKokkos::pre_force(int vflag) d_ilist = k_list->d_ilist; nn = list->inum; - NN = list->inum + list->gnum; + NN = atom->nlocal + atom->nghost; copymode = 1; @@ -526,7 +525,7 @@ void FixACKS2ReaxFFKokkos::allocate_array() if (efield) get_chi_field(); // init_storage - Kokkos::parallel_for(Kokkos::RangePolicy(0,NN),*this); + Kokkos::parallel_for(Kokkos::RangePolicy(0,nn),*this); } @@ -1377,9 +1376,6 @@ int FixACKS2ReaxFFKokkos::bicgstab_solve() template void FixACKS2ReaxFFKokkos::calculate_Q() { - - Kokkos::parallel_for(Kokkos::RangePolicy(0,nn),*this); - pack_flag = 2; //comm->forward_comm( this ); //Dist_vector( s ); k_s.modify(); @@ -1388,8 +1384,7 @@ void FixACKS2ReaxFFKokkos::calculate_Q() k_s.modify(); k_s.sync(); - Kokkos::parallel_for(Kokkos::RangePolicy(0,NN),*this); - + Kokkos::parallel_for(Kokkos::RangePolicy(0,NN),*this); } /* ---------------------------------------------------------------------- */ @@ -1822,22 +1817,25 @@ void FixACKS2ReaxFFKokkos::operator() (TagACKS2Norm3, const int &ii, template KOKKOS_INLINE_FUNCTION -void FixACKS2ReaxFFKokkos::operator() (TagACKS2CalculateQ1, const int &ii) const +void FixACKS2ReaxFFKokkos::operator() (TagACKS2CalculateQ, const int &i) const { - const int i = d_ilist[ii]; if (mask[i] & groupbit) { - /* backup s */ - for (int k = nprev-1; k > 0; --k) { - d_s_hist(i,k) = d_s_hist(i,k-1); - d_s_hist_X(i,k) = d_s_hist_X(i,k-1); + q(i) = d_s(i); + + if (i < nlocal) { + /* backup s */ + for (int k = nprev-1; k > 0; --k) { + d_s_hist(i,k) = d_s_hist(i,k-1); + d_s_hist_X(i,k) = d_s_hist_X(i,k-1); + } + d_s_hist(i,0) = d_s[i]; + d_s_hist_X(i,0) = d_s[NN+i]; } - d_s_hist(i,0) = d_s[i]; - d_s_hist_X(i,0) = d_s[NN+i]; } // last two rows - if (last_rows_flag && ii == 0) { + if (last_rows_flag && i == 0) { for (int i = 0; i < 2; ++i) { for (int k = nprev-1; k > 0; --k) d_s_hist_last(i,k) = d_s_hist_last(i,k-1); @@ -1848,17 +1846,6 @@ void FixACKS2ReaxFFKokkos::operator() (TagACKS2CalculateQ1, const in /* ---------------------------------------------------------------------- */ -template -KOKKOS_INLINE_FUNCTION -void FixACKS2ReaxFFKokkos::operator() (TagACKS2CalculateQ2, const int &ii) const -{ - const int i = d_ilist[ii]; - if (mask[i] & groupbit) - q(i) = d_s(i); -} - -/* ---------------------------------------------------------------------- */ - template void FixACKS2ReaxFFKokkos::cleanup_copy() { diff --git a/src/KOKKOS/fix_acks2_reaxff_kokkos.h b/src/KOKKOS/fix_acks2_reaxff_kokkos.h index 735b478f1b..e81479d3ba 100644 --- a/src/KOKKOS/fix_acks2_reaxff_kokkos.h +++ b/src/KOKKOS/fix_acks2_reaxff_kokkos.h @@ -54,8 +54,7 @@ struct TagACKS2Precon1B{}; struct TagACKS2Precon2{}; struct TagACKS2Add{}; struct TagACKS2ZeroQGhosts{}; -struct TagACKS2CalculateQ1{}; -struct TagACKS2CalculateQ2{}; +struct TagACKS2CalculateQ{}; template class FixACKS2ReaxFFKokkos : public FixACKS2ReaxFF { @@ -152,10 +151,7 @@ class FixACKS2ReaxFFKokkos : public FixACKS2ReaxFF { void operator()(TagACKS2ZeroQGhosts, const int&) const; KOKKOS_INLINE_FUNCTION - void operator()(TagACKS2CalculateQ1, const int&) const; - - KOKKOS_INLINE_FUNCTION - void operator()(TagACKS2CalculateQ2, const int&) const; + void operator()(TagACKS2CalculateQ, const int&) const; KOKKOS_INLINE_FUNCTION double calculate_H_k(const F_FLOAT &r, const F_FLOAT &shld) const; diff --git a/src/KOKKOS/fix_qeq_reaxff_kokkos.cpp b/src/KOKKOS/fix_qeq_reaxff_kokkos.cpp index 4aa23b77be..43fd832700 100644 --- a/src/KOKKOS/fix_qeq_reaxff_kokkos.cpp +++ b/src/KOKKOS/fix_qeq_reaxff_kokkos.cpp @@ -208,7 +208,6 @@ void FixQEqReaxFFKokkos::pre_force(int /*vflag*/) d_neighbors = k_list->d_neighbors; d_ilist = k_list->d_ilist; nn = list->inum; - NN = list->inum + list->gnum; copymode = 1; @@ -375,7 +374,7 @@ void FixQEqReaxFFKokkos::allocate_array() if (efield) get_chi_field(); - Kokkos::parallel_for(Kokkos::RangePolicy(0,NN),*this); + Kokkos::parallel_for(Kokkos::RangePolicy(0,nn),*this); } /* ---------------------------------------------------------------------- */ @@ -872,7 +871,8 @@ void FixQEqReaxFFKokkos::sparse_matvec_kokkos(typename AT::t_ffloat2 } if (neighflag != FULL) { - Kokkos::parallel_for(Kokkos::RangePolicy(nn,NN),*this); + int nall = nlocal + atomKK->nghost; + Kokkos::parallel_for(Kokkos::RangePolicy(atom->nlocal,nall),*this); if (need_dup) dup_o.reset_except(d_o); diff --git a/src/KOKKOS/pair_dpd_ext_kokkos.cpp b/src/KOKKOS/pair_dpd_ext_kokkos.cpp new file mode 100644 index 0000000000..81a1b0b0a3 --- /dev/null +++ b/src/KOKKOS/pair_dpd_ext_kokkos.cpp @@ -0,0 +1,463 @@ +// clang-format off +/* ---------------------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + https://www.lammps.org/, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. +------------------------------------------------------------------------- */ + +/* ---------------------------------------------------------------------- + Contributing author: Matt Bettencourt (NVIDIA) +------------------------------------------------------------------------- */ + +#include "pair_dpd_ext_kokkos.h" + +#include "atom.h" +#include "atom_kokkos.h" +#include "memory_kokkos.h" +#include "comm.h" +#include "error.h" +#include "force.h" +#include "memory.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" +#include "random_mars.h" +#include "update.h" +#include "atom_masks.h" +#include "kokkos.h" + +#include + +using namespace LAMMPS_NS; + +#define EPSILON 1.0e-10 + + +template +PairDPDExtKokkos::PairDPDExtKokkos(class LAMMPS *lmp) : + PairDPDExt(lmp) , +#ifdef DPD_USE_RAN_MARS + rand_pool(0 /* unused */, lmp) +#else + rand_pool() +#endif +{ + kokkosable = 1; + atomKK = (AtomKokkos *) atom; + execution_space = ExecutionSpaceFromDevice::space; + + datamask_read = EMPTY_MASK; + datamask_modify = EMPTY_MASK; +} + +/* ---------------------------------------------------------------------- */ + +template +PairDPDExtKokkos::~PairDPDExtKokkos() { + if (copymode) return; + +#ifdef DPD_USE_RAN_MARS + rand_pool.destroy(); +#endif + + memoryKK->destroy_kokkos(k_eatom,eatom); + memoryKK->destroy_kokkos(k_vatom,vatom); + + memoryKK->destroy_kokkos(k_cutsq,cutsq); +} + +/* ---------------------------------------------------------------------- */ + +template +void PairDPDExtKokkos::init_style() +{ + PairDPDExt::init_style(); + +#ifdef DPD_USE_RAN_MARS + rand_pool.init(random,seed); +#else + typedef Kokkos::Experimental::UniqueToken< + DeviceType, Kokkos::Experimental::UniqueTokenScope::Global> unique_token_type; + unique_token_type unique_token; + rand_pool.init(seed + comm->me,unique_token.size()); +#endif + + neighflag = lmp->kokkos->neighflag; + + if (force->newton_pair == 0 || neighflag == FULL) + error->all(FLERR,"Must use half neighbor list style and newton on with pair dpd/ext/kk"); + + auto request = neighbor->find_request(this); + request->set_kokkos_host(std::is_same::value && + !std::is_same::value); + request->set_kokkos_device(std::is_same::value); +} + +/* ---------------------------------------------------------------------- */ + +template +void PairDPDExtKokkos::compute(int eflagin, int vflagin) +{ + eflag = eflagin; vflag = vflagin; + + ev_init(eflag,vflag,0); + + if (eflag_atom) { + memoryKK->destroy_kokkos(k_eatom,eatom); + memoryKK->create_kokkos(k_eatom,eatom,maxeatom,"pair:eatom"); + d_eatom = k_eatom.template view(); + } + if (vflag_atom) { + memoryKK->destroy_kokkos(k_vatom,vatom); + memoryKK->create_kokkos(k_vatom,vatom,maxvatom,"pair:vatom"); + d_vatom = k_vatom.template view(); + } + + atomKK->sync(execution_space,X_MASK | V_MASK | F_MASK | TYPE_MASK | ENERGY_MASK | VIRIAL_MASK); + + x = atomKK->k_x.view(); + v = atomKK->k_v.view(); + f = atomKK->k_f.view(); + type = atomKK->k_type.view(); + + k_cutsq.template sync(); + k_params.template sync(); + + special_lj[0] = force->special_lj[0]; + special_lj[1] = force->special_lj[1]; + special_lj[2] = force->special_lj[2]; + special_lj[3] = force->special_lj[3]; + + nlocal = atom->nlocal; + dtinvsqrt = 1.0/sqrt(update->dt); + + NeighListKokkos* k_list = static_cast*>(list); + d_numneigh = k_list->d_numneigh; + d_neighbors = k_list->d_neighbors; + d_ilist = k_list->d_ilist; + + need_dup = lmp->kokkos->need_dup(); + if (need_dup) { + dup_f = Kokkos::Experimental::create_scatter_view(f); + dup_eatom = Kokkos::Experimental::create_scatter_view(d_eatom); + dup_vatom = Kokkos::Experimental::create_scatter_view(d_vatom); + } else { + ndup_f = Kokkos::Experimental::create_scatter_view(f); + ndup_eatom = Kokkos::Experimental::create_scatter_view(d_eatom); + ndup_vatom = Kokkos::Experimental::create_scatter_view(d_vatom); + } + + // loop over neighbors of my atoms + + int inum = list->inum; + EV_FLOAT ev; + copymode = 1; + if (neighflag == HALF) { + if (evflag) Kokkos::parallel_reduce(Kokkos::RangePolicy >(0,inum),*this,ev); + else Kokkos::parallel_for(Kokkos::RangePolicy >(0,inum),*this); + } else if (neighflag == HALFTHREAD) { + if (evflag) Kokkos::parallel_reduce(Kokkos::RangePolicy >(0,inum),*this,ev); + else Kokkos::parallel_for(Kokkos::RangePolicy >(0,inum),*this); + } + + if (need_dup) + Kokkos::Experimental::contribute(f, dup_f); + + if (eflag_global) eng_vdwl += ev.evdwl; + if (vflag_global) { + virial[0] += ev.v[0]; + virial[1] += ev.v[1]; + virial[2] += ev.v[2]; + virial[3] += ev.v[3]; + virial[4] += ev.v[4]; + virial[5] += ev.v[5]; + } + + if (vflag_fdotr) pair_virial_fdotr_compute(this); + + if (eflag_atom) { + if (need_dup) + Kokkos::Experimental::contribute(d_eatom, dup_eatom); + k_eatom.template modify(); + k_eatom.template sync(); + } + + if (vflag_atom) { + if (need_dup) + Kokkos::Experimental::contribute(d_vatom, dup_vatom); + k_vatom.template modify(); + k_vatom.template sync(); + } + + copymode = 0; + + if (evflag) atomKK->modified(execution_space,F_MASK | ENERGY_MASK | VIRIAL_MASK); + else atomKK->modified(execution_space,F_MASK); + + // free duplicated memory + if (need_dup) { + dup_f = decltype(dup_f)(); + dup_eatom = decltype(dup_eatom)(); + dup_vatom = decltype(dup_vatom)(); + } +} + +/* ---------------------------------------------------------------------- */ + +template +template +KOKKOS_INLINE_FUNCTION +void PairDPDExtKokkos::operator() (TagDPDExtKokkos, const int &ii) const { + EV_FLOAT ev; + this->template operator()(TagDPDExtKokkos(), ii, ev); +} + +template +template +KOKKOS_INLINE_FUNCTION +void PairDPDExtKokkos::operator() (TagDPDExtKokkos, const int &ii, EV_FLOAT &ev) const { + + // The f array is duplicated for OpenMP, atomic for CUDA, and neither for Serial + + auto v_f = ScatterViewHelper,decltype(dup_f),decltype(ndup_f)>::get(dup_f,ndup_f); + auto a_f = v_f.template access>(); + + int i,j,jj,jnum,itype,jtype; + double xtmp,ytmp,ztmp,delx,dely,delz,fpairx,fpairy,fpairz,fpair; + double vxtmp,vytmp,vztmp,delvx,delvy,delvz; + double rsq,r,rinv,dot,wd,wdPar,wdPerp,randnum,randnumx,randnumy,randnumz,factor_dpd; + double fx = 0,fy = 0,fz = 0; + double evdwl = 0; + i = d_ilist[ii]; + xtmp = x(i,0); + ytmp = x(i,1); + ztmp = x(i,2); + vxtmp = v(i,0); + vytmp = v(i,1); + vztmp = v(i,2); + itype = type(i); + jnum = d_numneigh[i]; + rand_type rand_gen = rand_pool.get_state(); + for (jj = 0; jj < jnum; jj++) { + double P[3][3]; + j = d_neighbors(i,jj); + factor_dpd = special_lj[sbmask(j)]; + j &= NEIGHMASK; + + delx = xtmp - x(j,0); + dely = ytmp - x(j,1); + delz = ztmp - x(j,2); + rsq = delx*delx + dely*dely + delz*delz; + jtype = type(j); + if (rsq < d_cutsq(itype,jtype)) { + r = sqrt(rsq); + if (r < EPSILON) continue; // r can be 0.0 in DPD systems + rinv = 1.0/r; + delvx = vxtmp - v(j,0); + delvy = vytmp - v(j,1); + delvz = vztmp - v(j,2); + dot = delx*delvx + dely*delvy + delz*delvz; + + P[0][0] = 1.0 - delx*delx*rinv*rinv; + P[0][1] = - delx*dely*rinv*rinv; + P[0][2] = - delx*delz*rinv*rinv; + + P[1][0] = P[0][1]; + P[1][1] = 1.0 - dely*dely*rinv*rinv; + P[1][2] = - dely*delz*rinv*rinv; + + P[2][0] = P[0][2]; + P[2][1] = P[1][2]; + P[2][2] = 1.0 - delz*delz*rinv*rinv; + + wd = 1.0 - r/params(itype,jtype).cut; + wdPar = pow(wd,params(itype,jtype).ws); + wdPerp = pow(wd,params(itype,jtype).wsT); + + randnum = rand_gen.normal(); + randnumx = rand_gen.normal(); + randnumy = rand_gen.normal(); + randnumz = rand_gen.normal(); + + // conservative force + fpair = params(itype,jtype).a0*wd; + + // drag force - parallel + fpair -= params(itype,jtype).gamma*wdPar*wdPar*dot*rinv; + + // random force - parallel + fpair += params(itype,jtype).sigma*wdPar*randnum*dtinvsqrt; + + fpairx = fpair*rinv*delx; + fpairy = fpair*rinv*dely; + fpairz = fpair*rinv*delz; + + // drag force - perpendicular + fpairx -= params(itype,jtype).gammaT*wdPerp*wdPerp* + (P[0][0]*delvx + P[0][1]*delvy + P[0][2]*delvz); + fpairy -= params(itype,jtype).gammaT*wdPerp*wdPerp* + (P[1][0]*delvx + P[1][1]*delvy + P[1][2]*delvz); + fpairz -= params(itype,jtype).gammaT*wdPerp*wdPerp* + (P[2][0]*delvx + P[2][1]*delvy + P[2][2]*delvz); + + // random force - perpendicular + fpairx += params(itype,jtype).sigmaT*wdPerp* + (P[0][0]*randnumx + P[0][1]*randnumy + P[0][2]*randnumz)*dtinvsqrt; + fpairy += params(itype,jtype).sigmaT*wdPerp* + (P[1][0]*randnumx + P[1][1]*randnumy + P[1][2]*randnumz)*dtinvsqrt; + fpairz += params(itype,jtype).sigmaT*wdPerp* + (P[2][0]*randnumx + P[2][1]*randnumy + P[2][2]*randnumz)*dtinvsqrt; + + fpairx *= factor_dpd; + fpairy *= factor_dpd; + fpairz *= factor_dpd; + + fx += fpairx; + fy += fpairy; + fz += fpairz; + a_f(j,0) -= fpairx; + a_f(j,1) -= fpairy; + a_f(j,2) -= fpairz; + + if (EVFLAG && eflag) { + // unshifted eng of conservative term: + // evdwl = -a0[itype][jtype]*r * (1.0-0.5*r/cut[itype][jtype]); + // eng shifted to 0.0 at cutoff + evdwl = 0.5*params(itype,jtype).a0*params(itype,jtype).cut* wd*wd; + evdwl *= factor_dpd; + if (EVFLAG && eflag_global) + ev.evdwl += evdwl; + } + if (EVFLAG && (eflag_atom || vflag_either)) + this->template ev_tally_xyz(ev,i,j,evdwl,fpairx,fpairy,fpairz,delx,dely,delz); + } + } + a_f(i,0) += fx; + a_f(i,1) += fy; + a_f(i,2) += fz; + rand_pool.free_state(rand_gen); +} + +/* ---------------------------------------------------------------------- */ + +template +template +KOKKOS_INLINE_FUNCTION +void PairDPDExtKokkos::ev_tally_xyz(EV_FLOAT &ev, const int &i, const int &j, + const F_FLOAT &epair, + const F_FLOAT &fx, const F_FLOAT &fy, const F_FLOAT &fz, + const F_FLOAT &delx, const F_FLOAT &dely, const F_FLOAT &delz) const +{ + // The eatom and vatom arrays are duplicated for OpenMP, atomic for CUDA, and neither for Serial + + auto v_eatom = ScatterViewHelper,decltype(dup_eatom),decltype(ndup_eatom)>::get(dup_eatom,ndup_eatom); + auto a_eatom = v_eatom.template access>(); + + auto v_vatom = ScatterViewHelper,decltype(dup_vatom),decltype(ndup_vatom)>::get(dup_vatom,ndup_vatom); + auto a_vatom = v_vatom.template access>(); + + if (eflag_atom) { + const E_FLOAT epairhalf = 0.5 * epair; + a_eatom[i] += epairhalf; + a_eatom[j] += epairhalf; + } + + if (vflag_either) { + const E_FLOAT v0 = delx*fx; + const E_FLOAT v1 = dely*fy; + const E_FLOAT v2 = delz*fz; + const E_FLOAT v3 = delx*fy; + const E_FLOAT v4 = delx*fz; + const E_FLOAT v5 = dely*fz; + + if (vflag_global) { + ev.v[0] += v0; + ev.v[1] += v1; + ev.v[2] += v2; + ev.v[3] += v3; + ev.v[4] += v4; + ev.v[5] += v5; + } + + if (vflag_atom) { + a_vatom(i,0) += 0.5*v0; + a_vatom(i,1) += 0.5*v1; + a_vatom(i,2) += 0.5*v2; + a_vatom(i,3) += 0.5*v3; + a_vatom(i,4) += 0.5*v4; + a_vatom(i,5) += 0.5*v5; + a_vatom(j,0) += 0.5*v0; + a_vatom(j,1) += 0.5*v1; + a_vatom(j,2) += 0.5*v2; + a_vatom(j,3) += 0.5*v3; + a_vatom(j,4) += 0.5*v4; + a_vatom(j,5) += 0.5*v5; + } + } +} + +/* ---------------------------------------------------------------------- */ + +template +void PairDPDExtKokkos::allocate() +{ + PairDPDExt::allocate(); + int n = atom->ntypes; + + memory->destroy(cutsq); + memoryKK->create_kokkos(k_cutsq,cutsq,n+1,n+1,"pair:cutsq"); + d_cutsq = k_cutsq.template view(); + + k_params = Kokkos::DualView("PairDPDExt::params",n+1,n+1); + params = k_params.template view(); +} + +/* ---------------------------------------------------------------------- */ + +template +KOKKOS_INLINE_FUNCTION +int PairDPDExtKokkos::sbmask(const int& j) const { + return j >> SBBITS & 3; +} + +/* ---------------------------------------------------------------------- + init for one type pair i,j and corresponding j,i +------------------------------------------------------------------------- */ + +template +double PairDPDExtKokkos::init_one(int i, int j) +{ + double cutone = PairDPDExt::init_one(i,j); + + k_params.h_view(i,j).cut = cut[i][j]; + k_params.h_view(i,j).ws = ws[i][j]; + k_params.h_view(i,j).wsT = wsT[i][j]; + k_params.h_view(i,j).a0 = a0[i][j]; + k_params.h_view(i,j).gamma = gamma[i][j]; + k_params.h_view(i,j).sigma = sigma[i][j]; + k_params.h_view(i,j).gammaT = gammaT[i][j]; + k_params.h_view(i,j).sigmaT = sigmaT[i][j]; + k_params.h_view(j,i) = k_params.h_view(i,j); + + k_params.template modify(); + + k_cutsq.h_view(i,j) = cutone*cutone; + k_cutsq.h_view(j,i) = k_cutsq.h_view(i,j); + k_cutsq.template modify(); + + return cutone; +} + +namespace LAMMPS_NS { +template class PairDPDExtKokkos; +#ifdef LMP_KOKKOS_GPU +template class PairDPDExtKokkos; +#endif +} diff --git a/src/KOKKOS/pair_dpd_ext_kokkos.h b/src/KOKKOS/pair_dpd_ext_kokkos.h new file mode 100644 index 0000000000..1c04be6b01 --- /dev/null +++ b/src/KOKKOS/pair_dpd_ext_kokkos.h @@ -0,0 +1,143 @@ +/* -*- c++ -*- ---------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + https://www.lammps.org/, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. +------------------------------------------------------------------------- */ + +#ifdef PAIR_CLASS +// clang-format off +PairStyle(dpd/ext/kk,PairDPDExtKokkos); +PairStyle(dpd/ext/kk/device,PairDPDExtKokkos); +PairStyle(dpd/ext/kk/host,PairDPDExtKokkos); +// clang-format on +#else + +#ifndef LMP_PAIR_DPD_EXT_KOKKOS_H +#define LMP_PAIR_DPD_EXT_KOKKOS_H + +#include "pair_dpd_ext.h" +#include "pair_kokkos.h" +#include "kokkos_type.h" + +#if !defined(DPD_USE_RAN_MARS) && !defined(DPD_USE_Random_XorShift64) && !defined(Random_XorShift1024) +#define DPD_USE_Random_XorShift64 +#endif + +#ifdef DPD_USE_RAN_MARS +#include "rand_pool_wrap_kokkos.h" +#else +#include "Kokkos_Random.hpp" +#endif + +namespace LAMMPS_NS { + +template +class PairDPDExtKokkos : public PairDPDExt { + public: + typedef DeviceType device_type; + typedef ArrayTypes AT; + typedef EV_FLOAT value_type; + + PairDPDExtKokkos(class LAMMPS*); + ~PairDPDExtKokkos() override; + + void allocate() override; + + void init_style() override; + double init_one(int i, int j) override; + void compute(int, int) override; + + struct params_dpd { + KOKKOS_INLINE_FUNCTION + params_dpd() {cut=ws=wsT=a0=gamma=sigma=gammaT=sigmaT=0;} + KOKKOS_INLINE_FUNCTION + params_dpd(int /*i*/) {cut=ws=wsT=a0=gamma=sigma=gammaT=sigmaT=0;} + F_FLOAT cut,ws,wsT,a0,gamma,sigma,gammaT,sigmaT; + }; + + template + struct TagDPDExtKokkos{}; + + template + KOKKOS_INLINE_FUNCTION + void operator () (TagDPDExtKokkos, const int &i) const; + + template + KOKKOS_INLINE_FUNCTION + void operator () (TagDPDExtKokkos, const int &i, EV_FLOAT&) const; + + template + KOKKOS_INLINE_FUNCTION + void ev_tally_xyz(EV_FLOAT &ev, const int &i, const int &j, + const F_FLOAT &epair, + const F_FLOAT &fx, const F_FLOAT &fy, const F_FLOAT &fz, + const F_FLOAT &delx, const F_FLOAT &dely, const F_FLOAT &delz) const; + private: + double special_lj[4]; + int eflag,vflag; + int neighflag,nlocal; + double dtinvsqrt; + + int need_dup; + + using KKDeviceType = typename KKDevice::value; + + template + using DupScatterView = KKScatterView; + + template + using NonDupScatterView = KKScatterView; + + DupScatterView dup_f; + DupScatterView dup_eatom; + DupScatterView dup_vatom; + NonDupScatterView ndup_f; + NonDupScatterView ndup_eatom; + NonDupScatterView ndup_vatom; + +#ifdef DPD_USE_RAN_MARS + RandPoolWrap rand_pool; + typedef RandWrap rand_type; +#elif defined(DPD_USE_Random_XorShift64) + Kokkos::Random_XorShift64_Pool rand_pool; + typedef typename Kokkos::Random_XorShift64_Pool::generator_type rand_type; +#elif defined(DPD_USE_Random_XorShift1024) + Kokkos::Random_XorShift1024_Pool rand_pool; + typedef typename Kokkos::Random_XorShift1024_Pool::generator_type rand_type; +#endif + typename AT::t_x_array_randomread x; + typename AT::t_x_array_randomread v; + typename AT::t_f_array f; + typename AT::t_int_1d_randomread type; + + typename AT::t_neighbors_2d d_neighbors; + typename AT::t_int_1d_randomread d_ilist; + typename AT::t_int_1d_randomread d_numneigh; + + typename AT::tdual_ffloat_2d k_cutsq; + typename AT::t_ffloat_2d d_cutsq; + + Kokkos::DualView k_params; + typename Kokkos::DualView::t_dev_const_um params; + + DAT::tdual_efloat_1d k_eatom; + DAT::tdual_virial_array k_vatom; + typename AT::t_efloat_1d d_eatom; + typename AT::t_virial_array d_vatom; + + KOKKOS_INLINE_FUNCTION + int sbmask(const int& j) const; + friend void pair_virial_fdotr_compute(PairDPDExtKokkos*); + +}; +} +#endif +#endif diff --git a/src/KOKKOS/pair_dpd_ext_tstat_kokkos.cpp b/src/KOKKOS/pair_dpd_ext_tstat_kokkos.cpp new file mode 100644 index 0000000000..76b7658ac9 --- /dev/null +++ b/src/KOKKOS/pair_dpd_ext_tstat_kokkos.cpp @@ -0,0 +1,444 @@ +// clang-format off +/* ---------------------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + https://www.lammps.org/, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. +------------------------------------------------------------------------- */ + +/* ---------------------------------------------------------------------- + Contributing author: Matt Bettencourt (NVIDIA) +------------------------------------------------------------------------- */ + +#include "pair_dpd_ext_tstat_kokkos.h" + +#include "atom.h" +#include "atom_kokkos.h" +#include "memory_kokkos.h" +#include "comm.h" +#include "error.h" +#include "force.h" +#include "memory.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" +#include "random_mars.h" +#include "update.h" +#include "atom_masks.h" +#include "kokkos.h" + +#include + +using namespace LAMMPS_NS; + +#define EPSILON 1.0e-10 + + +template +PairDPDExtTstatKokkos::PairDPDExtTstatKokkos(class LAMMPS *lmp) : + PairDPDExtTstat(lmp) , +#ifdef DPD_USE_RAN_MARS + rand_pool(0 /* unused */, lmp) +#else + rand_pool() +#endif +{ + kokkosable = 1; + atomKK = (AtomKokkos *) atom; + execution_space = ExecutionSpaceFromDevice::space; + + datamask_read = EMPTY_MASK; + datamask_modify = EMPTY_MASK; +} + +/* ---------------------------------------------------------------------- */ + +template +PairDPDExtTstatKokkos::~PairDPDExtTstatKokkos() { + if (copymode) return; + +#ifdef DPD_USE_RAN_MARS + rand_pool.destroy(); +#endif + + memoryKK->destroy_kokkos(k_vatom,vatom); + + memoryKK->destroy_kokkos(k_cutsq,cutsq); +} + +/* ---------------------------------------------------------------------- */ + +template +void PairDPDExtTstatKokkos::init_style() +{ + PairDPDExt::init_style(); + +#ifdef DPD_USE_RAN_MARS + rand_pool.init(random,seed); +#else + typedef Kokkos::Experimental::UniqueToken< + DeviceType, Kokkos::Experimental::UniqueTokenScope::Global> unique_token_type; + unique_token_type unique_token; + rand_pool.init(seed + comm->me,unique_token.size()); +#endif + + neighflag = lmp->kokkos->neighflag; + + if (force->newton_pair == 0 || neighflag == FULL ) + error->all(FLERR,"Must use half neighbor list style and newton on with pair dpd/ext/kk"); + + auto request = neighbor->find_request(this); + request->set_kokkos_host(std::is_same::value && + !std::is_same::value); + request->set_kokkos_device(std::is_same::value); +} + +/* ---------------------------------------------------------------------- */ + +template +void PairDPDExtTstatKokkos::compute(int eflagin, int vflagin) +{ + eflag = eflagin; vflag = vflagin; + + ev_init(eflag,vflag,0); + + // adjust sigma if target T is changing + if (t_start != t_stop) { + double delta = update->ntimestep - update->beginstep; + if (delta != 0.0) delta /= update->endstep - update->beginstep; + temperature = t_start + delta * (t_stop-t_start); + double boltz = force->boltz; + for (int i = 1; i <= atom->ntypes; i++) + for (int j = i; j <= atom->ntypes; j++) { + k_params.h_view(i,j).sigma = k_params.h_view(j,i).sigma = + sqrt(2.0*boltz*temperature*gamma[i][j]); + } + } + k_params.template modify(); + + if (eflag_atom) { + maxeatom = atom->nmax; + memory->destroy(eatom); + memory->create(eatom,maxeatom,"pair:eatom"); + memset(&eatom[0], 0, maxeatom * sizeof(double)); + } + + if (vflag_atom) { + memoryKK->destroy_kokkos(k_vatom,vatom); + memoryKK->create_kokkos(k_vatom,vatom,maxvatom,"pair:vatom"); + d_vatom = k_vatom.template view(); + } + + atomKK->sync(execution_space,X_MASK | V_MASK | F_MASK | TYPE_MASK | ENERGY_MASK | VIRIAL_MASK); + + x = atomKK->k_x.view(); + v = atomKK->k_v.view(); + f = atomKK->k_f.view(); + type = atomKK->k_type.view(); + + k_cutsq.template sync(); + k_params.template sync(); + + special_lj[0] = force->special_lj[0]; + special_lj[1] = force->special_lj[1]; + special_lj[2] = force->special_lj[2]; + special_lj[3] = force->special_lj[3]; + + nlocal = atom->nlocal; + dtinvsqrt = 1.0/sqrt(update->dt); + + NeighListKokkos* k_list = static_cast*>(list); + d_numneigh = k_list->d_numneigh; + d_neighbors = k_list->d_neighbors; + d_ilist = k_list->d_ilist; + + need_dup = lmp->kokkos->need_dup(); + if (need_dup) { + dup_f = Kokkos::Experimental::create_scatter_view(f); + dup_vatom = Kokkos::Experimental::create_scatter_view(d_vatom); + } else { + ndup_f = Kokkos::Experimental::create_scatter_view(f); + ndup_vatom = Kokkos::Experimental::create_scatter_view(d_vatom); + } + + // loop over neighbors of my atoms + + int inum = list->inum; + EV_FLOAT ev; + copymode = 1; + if (neighflag == HALF) { + if (vflag_either) Kokkos::parallel_reduce(Kokkos::RangePolicy >(0,inum),*this,ev); + else Kokkos::parallel_for(Kokkos::RangePolicy >(0,inum),*this); + } else if (neighflag == HALFTHREAD) { + if (vflag_either) Kokkos::parallel_reduce(Kokkos::RangePolicy >(0,inum),*this,ev); + else Kokkos::parallel_for(Kokkos::RangePolicy >(0,inum),*this); + } + + if (need_dup) + Kokkos::Experimental::contribute(f, dup_f); + + if (vflag_global) { + virial[0] += ev.v[0]; + virial[1] += ev.v[1]; + virial[2] += ev.v[2]; + virial[3] += ev.v[3]; + virial[4] += ev.v[4]; + virial[5] += ev.v[5]; + } + + if (vflag_fdotr) pair_virial_fdotr_compute(this); + + if (vflag_atom) { + if (need_dup) + Kokkos::Experimental::contribute(d_vatom, dup_vatom); + k_vatom.template modify(); + k_vatom.template sync(); + } + + copymode = 0; + + if (evflag) atomKK->modified(execution_space,F_MASK | ENERGY_MASK | VIRIAL_MASK); + else atomKK->modified(execution_space,F_MASK); + + // free duplicated memory + if (need_dup) { + dup_f = decltype(dup_f)(); + dup_vatom = decltype(dup_vatom)(); + } +} + +/* ---------------------------------------------------------------------- */ + +template +template +KOKKOS_INLINE_FUNCTION +void PairDPDExtTstatKokkos::operator() (TagDPDExtTstatKokkos, const int &ii) const { + EV_FLOAT ev; + this->template operator()(TagDPDExtTstatKokkos(), ii, ev); +} + +template +template +KOKKOS_INLINE_FUNCTION +void PairDPDExtTstatKokkos::operator() (TagDPDExtTstatKokkos, const int &ii, EV_FLOAT &ev) const { + + // The f array is duplicated for OpenMP, atomic for CUDA, and neither for Serial + + auto v_f = ScatterViewHelper,decltype(dup_f),decltype(ndup_f)>::get(dup_f,ndup_f); + auto a_f = v_f.template access>(); + + + int i,j,jj,jnum,itype,jtype; + double xtmp,ytmp,ztmp,delx,dely,delz,fpairx,fpairy,fpairz,fpair; + double vxtmp,vytmp,vztmp,delvx,delvy,delvz; + double rsq,r,rinv,dot,wd,wdPar,wdPerp,randnum,randnumx,randnumy,randnumz,factor_dpd; + double fx = 0,fy = 0,fz = 0; + + i = d_ilist[ii]; + xtmp = x(i,0); + ytmp = x(i,1); + ztmp = x(i,2); + vxtmp = v(i,0); + vytmp = v(i,1); + vztmp = v(i,2); + itype = type(i); + jnum = d_numneigh[i]; + rand_type rand_gen = rand_pool.get_state(); + for (jj = 0; jj < jnum; jj++) { + double P[3][3]; + j = d_neighbors(i,jj); + factor_dpd = special_lj[sbmask(j)]; + j &= NEIGHMASK; + + delx = xtmp - x(j,0); + dely = ytmp - x(j,1); + delz = ztmp - x(j,2); + rsq = delx*delx + dely*dely + delz*delz; + jtype = type(j); + if (rsq < d_cutsq(itype,jtype)) { + r = sqrt(rsq); + if (r < EPSILON) continue; // r can be 0.0 in DPD systems + rinv = 1.0/r; + delvx = vxtmp - v(j,0); + delvy = vytmp - v(j,1); + delvz = vztmp - v(j,2); + dot = delx*delvx + dely*delvy + delz*delvz; + + P[0][0] = 1.0 - delx*delx*rinv*rinv; + P[0][1] = - delx*dely*rinv*rinv; + P[0][2] = - delx*delz*rinv*rinv; + + P[1][0] = P[0][1]; + P[1][1] = 1.0 - dely*dely*rinv*rinv; + P[1][2] = - dely*delz*rinv*rinv; + + P[2][0] = P[0][2]; + P[2][1] = P[1][2]; + P[2][2] = 1.0 - delz*delz*rinv*rinv; + + wd = 1.0 - r/params(itype,jtype).cut; + wdPar = pow(wd,params(itype,jtype).ws); + wdPerp = pow(wd,params(itype,jtype).wsT); + + randnum = rand_gen.normal(); + randnumx = rand_gen.normal(); + randnumy = rand_gen.normal(); + randnumz = rand_gen.normal(); + + // drag force - parallel + fpair = -params(itype,jtype).gamma*wdPar*wdPar*dot*rinv; + + // random force - parallel + fpair += params(itype,jtype).sigma*wdPar*randnum*dtinvsqrt; + + fpairx = fpair*rinv*delx; + fpairy = fpair*rinv*dely; + fpairz = fpair*rinv*delz; + + // drag force - perpendicular + fpairx -= params(itype,jtype).gammaT*wdPerp*wdPerp* + (P[0][0]*delvx + P[0][1]*delvy + P[0][2]*delvz); + fpairy -= params(itype,jtype).gammaT*wdPerp*wdPerp* + (P[1][0]*delvx + P[1][1]*delvy + P[1][2]*delvz); + fpairz -= params(itype,jtype).gammaT*wdPerp*wdPerp* + (P[2][0]*delvx + P[2][1]*delvy + P[2][2]*delvz); + + // random force - perpendicular + fpairx += params(itype,jtype).sigmaT*wdPerp* + (P[0][0]*randnumx + P[0][1]*randnumy + P[0][2]*randnumz)*dtinvsqrt; + fpairy += params(itype,jtype).sigmaT*wdPerp* + (P[1][0]*randnumx + P[1][1]*randnumy + P[1][2]*randnumz)*dtinvsqrt; + fpairz += params(itype,jtype).sigmaT*wdPerp* + (P[2][0]*randnumx + P[2][1]*randnumy + P[2][2]*randnumz)*dtinvsqrt; + + fpairx *= factor_dpd; + fpairy *= factor_dpd; + fpairz *= factor_dpd; + + fx += fpairx; + fy += fpairy; + fz += fpairz; + a_f(j,0) -= fpairx; + a_f(j,1) -= fpairy; + a_f(j,2) -= fpairz; + + if (VFLAG) + this->template v_tally_xyz(ev,i,j,fpairx,fpairy,fpairz,delx,dely,delz); + } + } + a_f(i,0) += fx; + a_f(i,1) += fy; + a_f(i,2) += fz; + rand_pool.free_state(rand_gen); +} + +/* ---------------------------------------------------------------------- */ + +template +template +KOKKOS_INLINE_FUNCTION +void PairDPDExtTstatKokkos::v_tally_xyz(EV_FLOAT &ev, const int &i, const int &j, + const F_FLOAT &fx, const F_FLOAT &fy, const F_FLOAT &fz, + const F_FLOAT &delx, const F_FLOAT &dely, const F_FLOAT &delz) const +{ + + // The vatom array is duplicated for OpenMP, atomic for CUDA, and neither for Serial + + auto v_vatom = ScatterViewHelper,decltype(dup_vatom),decltype(ndup_vatom)>::get(dup_vatom,ndup_vatom); + auto a_vatom = v_vatom.template access>(); + + const E_FLOAT v0 = delx*fx; + const E_FLOAT v1 = dely*fy; + const E_FLOAT v2 = delz*fz; + const E_FLOAT v3 = delx*fy; + const E_FLOAT v4 = delx*fz; + const E_FLOAT v5 = dely*fz; + + if (vflag_global) { + ev.v[0] += v0; + ev.v[1] += v1; + ev.v[2] += v2; + ev.v[3] += v3; + ev.v[4] += v4; + ev.v[5] += v5; + } + + if (vflag_atom) { + a_vatom(i,0) += 0.5*v0; + a_vatom(i,1) += 0.5*v1; + a_vatom(i,2) += 0.5*v2; + a_vatom(i,3) += 0.5*v3; + a_vatom(i,4) += 0.5*v4; + a_vatom(i,5) += 0.5*v5; + a_vatom(j,0) += 0.5*v0; + a_vatom(j,1) += 0.5*v1; + a_vatom(j,2) += 0.5*v2; + a_vatom(j,3) += 0.5*v3; + a_vatom(j,4) += 0.5*v4; + a_vatom(j,5) += 0.5*v5; + } +} + +/* ---------------------------------------------------------------------- */ + +template +void PairDPDExtTstatKokkos::allocate() +{ + PairDPDExt::allocate(); + int n = atom->ntypes; + + memory->destroy(cutsq); + memoryKK->create_kokkos(k_cutsq,cutsq,n+1,n+1,"pair:cutsq"); + d_cutsq = k_cutsq.template view(); + + k_params = Kokkos::DualView("PairDPDExt::params",n+1,n+1); + params = k_params.template view(); +} + +/* ---------------------------------------------------------------------- */ + +template +KOKKOS_INLINE_FUNCTION +int PairDPDExtTstatKokkos::sbmask(const int& j) const { + return j >> SBBITS & 3; +} + +/* ---------------------------------------------------------------------- + init for one type pair i,j and corresponding j,i +------------------------------------------------------------------------- */ + +template +double PairDPDExtTstatKokkos::init_one(int i, int j) +{ + double cutone = PairDPDExt::init_one(i,j); + + k_params.h_view(i,j).cut = cut[i][j]; + k_params.h_view(i,j).ws = ws[i][j]; + k_params.h_view(i,j).wsT = wsT[i][j]; + k_params.h_view(i,j).gamma = gamma[i][j]; + k_params.h_view(i,j).sigma = sigma[i][j]; + k_params.h_view(i,j).gammaT = gammaT[i][j]; + k_params.h_view(i,j).sigmaT = sigmaT[i][j]; + k_params.h_view(j,i) = k_params.h_view(i,j); + + k_params.template modify(); + + k_cutsq.h_view(i,j) = cutone*cutone; + k_cutsq.h_view(j,i) = k_cutsq.h_view(i,j); + k_cutsq.template modify(); + + return cutone; +} + +namespace LAMMPS_NS { +template class PairDPDExtTstatKokkos; +#ifdef LMP_KOKKOS_GPU +template class PairDPDExtTstatKokkos; +#endif +} diff --git a/src/KOKKOS/pair_dpd_ext_tstat_kokkos.h b/src/KOKKOS/pair_dpd_ext_tstat_kokkos.h new file mode 100644 index 0000000000..03debe58af --- /dev/null +++ b/src/KOKKOS/pair_dpd_ext_tstat_kokkos.h @@ -0,0 +1,138 @@ +/* -*- c++ -*- ---------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + https://www.lammps.org/, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. +------------------------------------------------------------------------- */ + +#ifdef PAIR_CLASS +// clang-format off +PairStyle(dpd/ext/tstat/kk,PairDPDExtTstatKokkos); +PairStyle(dpd/ext/tstat/kk/device,PairDPDExtTstatKokkos); +PairStyle(dpd/ext/tstat/kk/host,PairDPDExtTstatKokkos); +// clang-format on +#else + +#ifndef LMP_PAIR_DPD_EXT_TSTAT_KOKKOS_H +#define LMP_PAIR_DPD_EXT_TSTAT_KOKKOS_H + +#include "pair_dpd_ext_tstat.h" +#include "pair_kokkos.h" +#include "kokkos_type.h" + +#if !defined(DPD_USE_RAN_MARS) && !defined(DPD_USE_Random_XorShift64) && !defined(Random_XorShift1024) +#define DPD_USE_Random_XorShift64 +#endif + +#ifdef DPD_USE_RAN_MARS +#include "rand_pool_wrap_kokkos.h" +#else +#include "Kokkos_Random.hpp" +#endif + +namespace LAMMPS_NS { + +template +class PairDPDExtTstatKokkos : public PairDPDExtTstat { + public: + typedef DeviceType device_type; + typedef ArrayTypes AT; + typedef EV_FLOAT value_type; + + PairDPDExtTstatKokkos(class LAMMPS*); + ~PairDPDExtTstatKokkos() override; + + void allocate() override; + + void init_style() override; + double init_one(int i, int j) override; + void compute(int, int) override; + + struct params_dpd { + KOKKOS_INLINE_FUNCTION + params_dpd() {cut=ws=wsT=gamma=sigma=gammaT=sigmaT=0;} + KOKKOS_INLINE_FUNCTION + params_dpd(int /*i*/) {cut=ws=wsT=gamma=sigma=gammaT=sigmaT=0;} + F_FLOAT cut,ws,wsT,gamma,sigma,gammaT,sigmaT; + }; + + template + struct TagDPDExtTstatKokkos{}; + + template + KOKKOS_INLINE_FUNCTION + void operator () (TagDPDExtTstatKokkos, const int &i) const; + + template + KOKKOS_INLINE_FUNCTION + void operator () (TagDPDExtTstatKokkos, const int &i, EV_FLOAT&) const; + + template + KOKKOS_INLINE_FUNCTION + void v_tally_xyz(EV_FLOAT &ev, const int &i, const int &j, + const F_FLOAT &fx,const F_FLOAT &fy, const F_FLOAT &fz, + const F_FLOAT &delx,const F_FLOAT &dely, const F_FLOAT &delz) const; + private: + double special_lj[4]; + int eflag,vflag; + int neighflag,nlocal; + double dtinvsqrt; + + int need_dup; + + using KKDeviceType = typename KKDevice::value; + + template + using DupScatterView = KKScatterView; + + template + using NonDupScatterView = KKScatterView; + + DupScatterView dup_f; + DupScatterView dup_vatom; + NonDupScatterView ndup_f; + NonDupScatterView ndup_vatom; + +#ifdef DPD_USE_RAN_MARS + RandPoolWrap rand_pool; + typedef RandWrap rand_type; +#elif defined(DPD_USE_Random_XorShift64) + Kokkos::Random_XorShift64_Pool rand_pool; + typedef typename Kokkos::Random_XorShift64_Pool::generator_type rand_type; +#elif defined(DPD_USE_Random_XorShift1024) + Kokkos::Random_XorShift1024_Pool rand_pool; + typedef typename Kokkos::Random_XorShift1024_Pool::generator_type rand_type; +#endif + typename AT::t_x_array_randomread x; + typename AT::t_x_array_randomread v; + typename AT::t_f_array f; + typename AT::t_int_1d_randomread type; + + typename AT::t_neighbors_2d d_neighbors; + typename AT::t_int_1d_randomread d_ilist; + typename AT::t_int_1d_randomread d_numneigh; + + typename AT::tdual_ffloat_2d k_cutsq; + typename AT::t_ffloat_2d d_cutsq; + + Kokkos::DualView k_params; + typename Kokkos::DualView::t_dev_const_um params; + + DAT::tdual_virial_array k_vatom; + typename AT::t_virial_array d_vatom; + + KOKKOS_INLINE_FUNCTION + int sbmask(const int& j) const; + friend void pair_virial_fdotr_compute(PairDPDExtTstatKokkos*); + +}; +} +#endif +#endif diff --git a/src/KOKKOS/pair_dpd_fdt_energy_kokkos.cpp b/src/KOKKOS/pair_dpd_fdt_energy_kokkos.cpp index 123467865a..dc22938dc8 100644 --- a/src/KOKKOS/pair_dpd_fdt_energy_kokkos.cpp +++ b/src/KOKKOS/pair_dpd_fdt_energy_kokkos.cpp @@ -729,21 +729,19 @@ void PairDPDfdtEnergyKokkos::ev_tally(EV_FLOAT &ev, const int &i, co if (vflag_atom) { if (NEIGHFLAG!=FULL) { - if (NEWTON_PAIR || i < nlocal) { - v_vatom(i,0) += 0.5*v0; - v_vatom(i,1) += 0.5*v1; - v_vatom(i,2) += 0.5*v2; - v_vatom(i,3) += 0.5*v3; - v_vatom(i,4) += 0.5*v4; - v_vatom(i,5) += 0.5*v5; - } + v_vatom(i,0) += 0.5*v0; + v_vatom(i,1) += 0.5*v1; + v_vatom(i,2) += 0.5*v2; + v_vatom(i,3) += 0.5*v3; + v_vatom(i,4) += 0.5*v4; + v_vatom(i,5) += 0.5*v5; if (NEWTON_PAIR || j < nlocal) { - v_vatom(j,0) += 0.5*v0; - v_vatom(j,1) += 0.5*v1; - v_vatom(j,2) += 0.5*v2; - v_vatom(j,3) += 0.5*v3; - v_vatom(j,4) += 0.5*v4; - v_vatom(j,5) += 0.5*v5; + v_vatom(j,0) += 0.5*v0; + v_vatom(j,1) += 0.5*v1; + v_vatom(j,2) += 0.5*v2; + v_vatom(j,3) += 0.5*v3; + v_vatom(j,4) += 0.5*v4; + v_vatom(j,5) += 0.5*v5; } } else { v_vatom(i,0) += 0.5*v0; diff --git a/src/KOKKOS/pair_dpd_kokkos.cpp b/src/KOKKOS/pair_dpd_kokkos.cpp new file mode 100644 index 0000000000..2b2c4594ac --- /dev/null +++ b/src/KOKKOS/pair_dpd_kokkos.cpp @@ -0,0 +1,417 @@ +// clang-format off +/* ---------------------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + https://www.lammps.org/, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. +------------------------------------------------------------------------- */ + +/* ---------------------------------------------------------------------- + Contributing author: Matt Bettencourt (NVIDIA) +------------------------------------------------------------------------- */ + +#include "pair_dpd_kokkos.h" + +#include "atom.h" +#include "atom_kokkos.h" +#include "memory_kokkos.h" +#include "comm.h" +#include "error.h" +#include "force.h" +#include "memory.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" +#include "random_mars.h" +#include "update.h" +#include "atom_masks.h" +#include "kokkos.h" + +#include + +using namespace LAMMPS_NS; + +#define EPSILON 1.0e-10 + + +template +PairDPDKokkos::PairDPDKokkos(class LAMMPS *lmp) : + PairDPD(lmp) , +#ifdef DPD_USE_RAN_MARS + rand_pool(0 /* unused */, lmp) +#else + rand_pool() +#endif +{ + kokkosable = 1; + atomKK = (AtomKokkos *) atom; + execution_space = ExecutionSpaceFromDevice::space; + + datamask_read = EMPTY_MASK; + datamask_modify = EMPTY_MASK; +} + +/* ---------------------------------------------------------------------- */ + +template +PairDPDKokkos::~PairDPDKokkos() { + if (copymode) return; + +#ifdef DPD_USE_RAN_MARS + rand_pool.destroy(); +#endif + + memoryKK->destroy_kokkos(k_eatom,eatom); + memoryKK->destroy_kokkos(k_vatom,vatom); + + memoryKK->destroy_kokkos(k_cutsq,cutsq); +} + +/* ---------------------------------------------------------------------- */ + +template +void PairDPDKokkos::init_style() +{ + PairDPD::init_style(); + +#ifdef DPD_USE_RAN_MARS + rand_pool.init(random,seed); +#else + typedef Kokkos::Experimental::UniqueToken< + DeviceType, Kokkos::Experimental::UniqueTokenScope::Global> unique_token_type; + unique_token_type unique_token; + rand_pool.init(seed + comm->me,unique_token.size()); +#endif + + neighflag = lmp->kokkos->neighflag; + + if (force->newton_pair == 0 || neighflag == FULL) + error->all(FLERR,"Must use half neighbor list style and newton on with pair dpd/kk"); + + auto request = neighbor->find_request(this); + request->set_kokkos_host(std::is_same::value && + !std::is_same::value); + request->set_kokkos_device(std::is_same::value); +} + +/* ---------------------------------------------------------------------- */ + +template +void PairDPDKokkos::compute(int eflagin, int vflagin) +{ + eflag = eflagin; vflag = vflagin; + + ev_init(eflag,vflag,0); + + if (eflag_atom) { + memoryKK->destroy_kokkos(k_eatom,eatom); + memoryKK->create_kokkos(k_eatom,eatom,maxeatom,"pair:eatom"); + d_eatom = k_eatom.template view(); + } + if (vflag_atom) { + memoryKK->destroy_kokkos(k_vatom,vatom); + memoryKK->create_kokkos(k_vatom,vatom,maxvatom,"pair:vatom"); + d_vatom = k_vatom.template view(); + } + + atomKK->sync(execution_space,X_MASK | V_MASK | F_MASK | TYPE_MASK | ENERGY_MASK | VIRIAL_MASK); + + x = atomKK->k_x.view(); + v = atomKK->k_v.view(); + f = atomKK->k_f.view(); + type = atomKK->k_type.view(); + + k_cutsq.template sync(); + k_params.template sync(); + + special_lj[0] = force->special_lj[0]; + special_lj[1] = force->special_lj[1]; + special_lj[2] = force->special_lj[2]; + special_lj[3] = force->special_lj[3]; + + nlocal = atom->nlocal; + dtinvsqrt = 1.0/sqrt(update->dt); + + NeighListKokkos* k_list = static_cast*>(list); + d_numneigh = k_list->d_numneigh; + d_neighbors = k_list->d_neighbors; + d_ilist = k_list->d_ilist; + + need_dup = lmp->kokkos->need_dup(); + if (need_dup) { + dup_f = Kokkos::Experimental::create_scatter_view(f); + dup_eatom = Kokkos::Experimental::create_scatter_view(d_eatom); + dup_vatom = Kokkos::Experimental::create_scatter_view(d_vatom); + } else { + ndup_f = Kokkos::Experimental::create_scatter_view(f); + ndup_eatom = Kokkos::Experimental::create_scatter_view(d_eatom); + ndup_vatom = Kokkos::Experimental::create_scatter_view(d_vatom); + } + + // loop over neighbors of my atoms + + int inum = list->inum; + EV_FLOAT ev; + copymode = 1; + if (neighflag == HALF) { + if (evflag) Kokkos::parallel_reduce(Kokkos::RangePolicy >(0,inum),*this,ev); + else Kokkos::parallel_for(Kokkos::RangePolicy >(0,inum),*this); + } else if (neighflag == HALFTHREAD) { + if (evflag) Kokkos::parallel_reduce(Kokkos::RangePolicy >(0,inum),*this,ev); + else Kokkos::parallel_for(Kokkos::RangePolicy >(0,inum),*this); + } + + if (need_dup) + Kokkos::Experimental::contribute(f, dup_f); + + if (eflag_global) eng_vdwl += ev.evdwl; + if (vflag_global) { + virial[0] += ev.v[0]; + virial[1] += ev.v[1]; + virial[2] += ev.v[2]; + virial[3] += ev.v[3]; + virial[4] += ev.v[4]; + virial[5] += ev.v[5]; + } + + if (vflag_fdotr) pair_virial_fdotr_compute(this); + + if (eflag_atom) { + if (need_dup) + Kokkos::Experimental::contribute(d_eatom, dup_eatom); + k_eatom.template modify(); + k_eatom.template sync(); + } + + if (vflag_atom) { + if (need_dup) + Kokkos::Experimental::contribute(d_vatom, dup_vatom); + k_vatom.template modify(); + k_vatom.template sync(); + } + + copymode = 0; + + if (evflag) atomKK->modified(execution_space,F_MASK | ENERGY_MASK | VIRIAL_MASK); + else atomKK->modified(execution_space,F_MASK); + + // free duplicated memory + if (need_dup) { + dup_f = decltype(dup_f)(); + dup_eatom = decltype(dup_eatom)(); + dup_vatom = decltype(dup_vatom)(); + } +} + +/* ---------------------------------------------------------------------- */ + +template +template +KOKKOS_INLINE_FUNCTION +void PairDPDKokkos::operator() (TagDPDKokkos, const int &ii) const { + EV_FLOAT ev; + this->template operator()(TagDPDKokkos(), ii, ev); +} + +template +template +KOKKOS_INLINE_FUNCTION +void PairDPDKokkos::operator() (TagDPDKokkos, const int &ii, EV_FLOAT &ev) const { + + // The f array is duplicated for OpenMP, atomic for CUDA, and neither for Serial + + auto v_f = ScatterViewHelper,decltype(dup_f),decltype(ndup_f)>::get(dup_f,ndup_f); + auto a_f = v_f.template access>(); + + int i,j,jj,jnum,itype,jtype; + double xtmp,ytmp,ztmp,delx,dely,delz,fpair; + double vxtmp,vytmp,vztmp,delvx,delvy,delvz; + double rsq,r,rinv,dot,wd,randnum,factor_dpd; + double fx = 0,fy = 0,fz = 0; + double evdwl = 0; + i = d_ilist[ii]; + xtmp = x(i,0); + ytmp = x(i,1); + ztmp = x(i,2); + vxtmp = v(i,0); + vytmp = v(i,1); + vztmp = v(i,2); + itype = type(i); + jnum = d_numneigh[i]; + rand_type rand_gen = rand_pool.get_state(); + for (jj = 0; jj < jnum; jj++) { + j = d_neighbors(i,jj); + factor_dpd = special_lj[sbmask(j)]; + j &= NEIGHMASK; + + delx = xtmp - x(j,0); + dely = ytmp - x(j,1); + delz = ztmp - x(j,2); + rsq = delx*delx + dely*dely + delz*delz; + jtype = type(j); + if (rsq < d_cutsq(itype,jtype)) { + r = sqrt(rsq); + if (r < EPSILON) continue; // r can be 0.0 in DPD systems + rinv = 1.0/r; + delvx = vxtmp - v(j,0); + delvy = vytmp - v(j,1); + delvz = vztmp - v(j,2); + dot = delx*delvx + dely*delvy + delz*delvz; + + wd = 1.0 - r/params(itype,jtype).cut; + + randnum = rand_gen.normal(); + + // conservative force + fpair = params(itype,jtype).a0*wd; + + // drag force - parallel + fpair -= params(itype,jtype).gamma*wd*wd*dot*rinv; + + // random force - parallel + fpair += params(itype,jtype).sigma*wd*randnum*dtinvsqrt; + fpair *= factor_dpd*rinv; + + fx += fpair*delx; + fy += fpair*dely; + fz += fpair*delz; + + a_f(j,0) -= fpair*delx; + a_f(j,1) -= fpair*dely; + a_f(j,2) -= fpair*delz; + + if (EVFLAG && eflag_global) { + // unshifted eng of conservative term: + // evdwl = -a0[itype][jtype]*r * (1.0-0.5*r/cut[itype][jtype]); + // eng shifted to 0.0 at cutoff + evdwl = 0.5*params(itype,jtype).a0*params(itype,jtype).cut* wd*wd; + evdwl *= factor_dpd; + ev.evdwl += evdwl; + } + if (EVFLAG && (eflag_atom || vflag_either)) + this->template ev_tally(ev,i,j,evdwl,fpair,delx,dely,delz); + } + } + a_f(i,0) += fx; + a_f(i,1) += fy; + a_f(i,2) += fz; + rand_pool.free_state(rand_gen); +} + +/* ---------------------------------------------------------------------- */ + +template +template +KOKKOS_INLINE_FUNCTION +void PairDPDKokkos::ev_tally(EV_FLOAT &ev, const int &i, const int &j, + const F_FLOAT &epair, const F_FLOAT &fpair, const F_FLOAT &delx, + const F_FLOAT &dely, const F_FLOAT &delz) const +{ + // The eatom and vatom arrays are duplicated for OpenMP, atomic for CUDA, and neither for Serial + + auto v_eatom = ScatterViewHelper,decltype(dup_eatom),decltype(ndup_eatom)>::get(dup_eatom,ndup_eatom); + auto a_eatom = v_eatom.template access>(); + + auto v_vatom = ScatterViewHelper,decltype(dup_vatom),decltype(ndup_vatom)>::get(dup_vatom,ndup_vatom); + auto a_vatom = v_vatom.template access>(); + + if (eflag_atom) { + const E_FLOAT epairhalf = 0.5 * epair; + a_eatom[i] += epairhalf; + a_eatom[j] += epairhalf; + } + + if (vflag_either) { + const E_FLOAT v0 = delx*delx*fpair; + const E_FLOAT v1 = dely*dely*fpair; + const E_FLOAT v2 = delz*delz*fpair; + const E_FLOAT v3 = delx*dely*fpair; + const E_FLOAT v4 = delx*delz*fpair; + const E_FLOAT v5 = dely*delz*fpair; + + if (vflag_global) { + ev.v[0] += v0; + ev.v[1] += v1; + ev.v[2] += v2; + ev.v[3] += v3; + ev.v[4] += v4; + ev.v[5] += v5; + } + + if (vflag_atom) { + a_vatom(i,0) += 0.5*v0; + a_vatom(i,1) += 0.5*v1; + a_vatom(i,2) += 0.5*v2; + a_vatom(i,3) += 0.5*v3; + a_vatom(i,4) += 0.5*v4; + a_vatom(i,5) += 0.5*v5; + a_vatom(j,0) += 0.5*v0; + a_vatom(j,1) += 0.5*v1; + a_vatom(j,2) += 0.5*v2; + a_vatom(j,3) += 0.5*v3; + a_vatom(j,4) += 0.5*v4; + a_vatom(j,5) += 0.5*v5; + } + } +} + +/* ---------------------------------------------------------------------- */ + +template +void PairDPDKokkos::allocate() +{ + PairDPD::allocate(); + int n = atom->ntypes; + + memory->destroy(cutsq); + memoryKK->create_kokkos(k_cutsq,cutsq,n+1,n+1,"pair:cutsq"); + d_cutsq = k_cutsq.template view(); + + k_params = Kokkos::DualView("PairDPD::params",n+1,n+1); + params = k_params.template view(); +} + +/* ---------------------------------------------------------------------- */ + +template +KOKKOS_INLINE_FUNCTION +int PairDPDKokkos::sbmask(const int& j) const { + return j >> SBBITS & 3; +} + +/* ---------------------------------------------------------------------- + init for one type pair i,j and corresponding j,i +------------------------------------------------------------------------- */ + +template +double PairDPDKokkos::init_one(int i, int j) +{ + double cutone = PairDPD::init_one(i,j); + + k_params.h_view(i,j).cut = cut[i][j]; + k_params.h_view(i,j).a0 = a0[i][j]; + k_params.h_view(i,j).gamma = gamma[i][j]; + k_params.h_view(i,j).sigma = sigma[i][j]; + k_params.h_view(j,i) = k_params.h_view(i,j); + + k_params.template modify(); + + k_cutsq.h_view(i,j) = cutone*cutone; + k_cutsq.h_view(j,i) = k_cutsq.h_view(i,j); + k_cutsq.template modify(); + + return cutone; +} + +namespace LAMMPS_NS { +template class PairDPDKokkos; +#ifdef LMP_KOKKOS_GPU +template class PairDPDKokkos; +#endif +} diff --git a/src/KOKKOS/pair_dpd_kokkos.h b/src/KOKKOS/pair_dpd_kokkos.h new file mode 100644 index 0000000000..c492ffcfdd --- /dev/null +++ b/src/KOKKOS/pair_dpd_kokkos.h @@ -0,0 +1,142 @@ +/* -*- c++ -*- ---------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + https://www.lammps.org/, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. +------------------------------------------------------------------------- */ + +#ifdef PAIR_CLASS +// clang-format off +PairStyle(dpd/kk,PairDPDKokkos); +PairStyle(dpd/kk/device,PairDPDKokkos); +PairStyle(dpd/kk/host,PairDPDKokkos); +// clang-format on +#else + +#ifndef LMP_PAIR_DPD_KOKKOS_H +#define LMP_PAIR_DPD_KOKKOS_H + +#include "pair_dpd.h" +#include "pair_kokkos.h" +#include "kokkos_type.h" + +#if !defined(DPD_USE_RAN_MARS) && !defined(DPD_USE_Random_XorShift64) && !defined(Random_XorShift1024) +#define DPD_USE_Random_XorShift64 +#endif + +#ifdef DPD_USE_RAN_MARS +#include "rand_pool_wrap_kokkos.h" +#else +#include "Kokkos_Random.hpp" +#endif + +namespace LAMMPS_NS { + +template +class PairDPDKokkos : public PairDPD { + public: + typedef DeviceType device_type; + typedef ArrayTypes AT; + typedef EV_FLOAT value_type; + + PairDPDKokkos(class LAMMPS*); + ~PairDPDKokkos() override; + + void allocate() override; + + void init_style() override; + double init_one(int i, int j) override; + void compute(int, int) override; + + struct params_dpd { + KOKKOS_INLINE_FUNCTION + params_dpd() {cut=a0=gamma=sigma=0;} + KOKKOS_INLINE_FUNCTION + params_dpd(int /*i*/) {cut=a0=gamma=sigma=0;} + F_FLOAT cut,a0,gamma,sigma; + }; + + template + struct TagDPDKokkos{}; + + template + KOKKOS_INLINE_FUNCTION + void operator () (TagDPDKokkos, const int &i) const; + + template + KOKKOS_INLINE_FUNCTION + void operator () (TagDPDKokkos, const int &i, EV_FLOAT&) const; + + template + KOKKOS_INLINE_FUNCTION + void ev_tally(EV_FLOAT &ev, const int &i, const int &j, + const F_FLOAT &epair, const F_FLOAT &fpair, const F_FLOAT &delx, + const F_FLOAT &dely, const F_FLOAT &delz) const; + private: + double special_lj[4]; + int eflag,vflag; + int neighflag,nlocal; + double dtinvsqrt; + + int need_dup; + + using KKDeviceType = typename KKDevice::value; + + template + using DupScatterView = KKScatterView; + + template + using NonDupScatterView = KKScatterView; + + DupScatterView dup_f; + DupScatterView dup_eatom; + DupScatterView dup_vatom; + NonDupScatterView ndup_f; + NonDupScatterView ndup_eatom; + NonDupScatterView ndup_vatom; + +#ifdef DPD_USE_RAN_MARS + RandPoolWrap rand_pool; + typedef RandWrap rand_type; +#elif defined(DPD_USE_Random_XorShift64) + Kokkos::Random_XorShift64_Pool rand_pool; + typedef typename Kokkos::Random_XorShift64_Pool::generator_type rand_type; +#elif defined(DPD_USE_Random_XorShift1024) + Kokkos::Random_XorShift1024_Pool rand_pool; + typedef typename Kokkos::Random_XorShift1024_Pool::generator_type rand_type; +#endif + typename AT::t_x_array_randomread x; + typename AT::t_x_array_randomread v; + typename AT::t_f_array f; + typename AT::t_int_1d_randomread type; + + typename AT::t_neighbors_2d d_neighbors; + typename AT::t_int_1d_randomread d_ilist; + typename AT::t_int_1d_randomread d_numneigh; + + typename AT::tdual_ffloat_2d k_cutsq; + typename AT::t_ffloat_2d d_cutsq; + + Kokkos::DualView k_params; + typename Kokkos::DualView::t_dev_const_um params; + + DAT::tdual_efloat_1d k_eatom; + DAT::tdual_virial_array k_vatom; + typename AT::t_efloat_1d d_eatom; + typename AT::t_virial_array d_vatom; + + KOKKOS_INLINE_FUNCTION + int sbmask(const int& j) const; + friend void pair_virial_fdotr_compute(PairDPDKokkos*); + +}; +} +#endif +#endif diff --git a/src/KOKKOS/pair_dpd_tstat_kokkos.cpp b/src/KOKKOS/pair_dpd_tstat_kokkos.cpp new file mode 100644 index 0000000000..d9a37c825a --- /dev/null +++ b/src/KOKKOS/pair_dpd_tstat_kokkos.cpp @@ -0,0 +1,399 @@ +// clang-format off +/* ---------------------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + https://www.lammps.org/, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. +------------------------------------------------------------------------- */ + +/* ---------------------------------------------------------------------- + Contributing author: Matt Bettencourt (NVIDIA) +------------------------------------------------------------------------- */ + +#include "pair_dpd_tstat_kokkos.h" + +#include "atom.h" +#include "atom_kokkos.h" +#include "memory_kokkos.h" +#include "comm.h" +#include "error.h" +#include "force.h" +#include "memory.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" +#include "random_mars.h" +#include "update.h" +#include "atom_masks.h" +#include "kokkos.h" + +#include + +using namespace LAMMPS_NS; + +#define EPSILON 1.0e-10 + + +template +PairDPDTstatKokkos::PairDPDTstatKokkos(class LAMMPS *lmp) : + PairDPDTstat(lmp) , +#ifdef DPD_USE_RAN_MARS + rand_pool(0 /* unused */, lmp) +#else + rand_pool() +#endif +{ + kokkosable = 1; + atomKK = (AtomKokkos *) atom; + execution_space = ExecutionSpaceFromDevice::space; + + datamask_read = EMPTY_MASK; + datamask_modify = EMPTY_MASK; +} + +/* ---------------------------------------------------------------------- */ + +template +PairDPDTstatKokkos::~PairDPDTstatKokkos() { + if (copymode) return; + +#ifdef DPD_USE_RAN_MARS + rand_pool.destroy(); +#endif + + memoryKK->destroy_kokkos(k_vatom,vatom); + + memoryKK->destroy_kokkos(k_cutsq,cutsq); +} + +/* ---------------------------------------------------------------------- */ + +template +void PairDPDTstatKokkos::init_style() +{ + PairDPD::init_style(); + +#ifdef DPD_USE_RAN_MARS + rand_pool.init(random,seed); +#else + typedef Kokkos::Experimental::UniqueToken< + DeviceType, Kokkos::Experimental::UniqueTokenScope::Global> unique_token_type; + unique_token_type unique_token; + rand_pool.init(seed + comm->me,unique_token.size()); +#endif + + neighflag = lmp->kokkos->neighflag; + + if (force->newton_pair == 0 || neighflag == FULL ) + error->all(FLERR,"Must use half neighbor list style and newton on with pair dpd/kk"); + + auto request = neighbor->find_request(this); + request->set_kokkos_host(std::is_same::value && + !std::is_same::value); + request->set_kokkos_device(std::is_same::value); +} + +/* ---------------------------------------------------------------------- */ + +template +void PairDPDTstatKokkos::compute(int eflagin, int vflagin) +{ + eflag = eflagin; vflag = vflagin; + + ev_init(eflag,vflag,0); + + // adjust sigma if target T is changing + if (t_start != t_stop) { + double delta = update->ntimestep - update->beginstep; + if (delta != 0.0) delta /= update->endstep - update->beginstep; + temperature = t_start + delta * (t_stop-t_start); + double boltz = force->boltz; + for (int i = 1; i <= atom->ntypes; i++) + for (int j = i; j <= atom->ntypes; j++) { + k_params.h_view(i,j).sigma = k_params.h_view(j,i).sigma = + sqrt(2.0*boltz*temperature*gamma[i][j]); + } + } + k_params.template modify(); + + if (eflag_atom) { + maxeatom = atom->nmax; + memory->destroy(eatom); + memory->create(eatom,maxeatom,"pair:eatom"); + memset(&eatom[0], 0, maxeatom * sizeof(double)); + } + + if (vflag_atom) { + memoryKK->destroy_kokkos(k_vatom,vatom); + memoryKK->create_kokkos(k_vatom,vatom,maxvatom,"pair:vatom"); + d_vatom = k_vatom.template view(); + } + + atomKK->sync(execution_space,X_MASK | V_MASK | F_MASK | TYPE_MASK | ENERGY_MASK | VIRIAL_MASK); + + x = atomKK->k_x.view(); + v = atomKK->k_v.view(); + f = atomKK->k_f.view(); + type = atomKK->k_type.view(); + + k_cutsq.template sync(); + k_params.template sync(); + + special_lj[0] = force->special_lj[0]; + special_lj[1] = force->special_lj[1]; + special_lj[2] = force->special_lj[2]; + special_lj[3] = force->special_lj[3]; + + nlocal = atom->nlocal; + dtinvsqrt = 1.0/sqrt(update->dt); + + NeighListKokkos* k_list = static_cast*>(list); + d_numneigh = k_list->d_numneigh; + d_neighbors = k_list->d_neighbors; + d_ilist = k_list->d_ilist; + + need_dup = lmp->kokkos->need_dup(); + if (need_dup) { + dup_f = Kokkos::Experimental::create_scatter_view(f); + dup_vatom = Kokkos::Experimental::create_scatter_view(d_vatom); + } else { + ndup_f = Kokkos::Experimental::create_scatter_view(f); + ndup_vatom = Kokkos::Experimental::create_scatter_view(d_vatom); + } + + // loop over neighbors of my atoms + + int inum = list->inum; + EV_FLOAT ev; + copymode = 1; + if (neighflag == HALF) { + if (vflag_either) Kokkos::parallel_reduce(Kokkos::RangePolicy >(0,inum),*this,ev); + else Kokkos::parallel_for(Kokkos::RangePolicy >(0,inum),*this); + } else if (neighflag == HALFTHREAD) { + if (vflag_either) Kokkos::parallel_reduce(Kokkos::RangePolicy >(0,inum),*this,ev); + else Kokkos::parallel_for(Kokkos::RangePolicy >(0,inum),*this); + } + + if (need_dup) + Kokkos::Experimental::contribute(f, dup_f); + + if (vflag_global) { + virial[0] += ev.v[0]; + virial[1] += ev.v[1]; + virial[2] += ev.v[2]; + virial[3] += ev.v[3]; + virial[4] += ev.v[4]; + virial[5] += ev.v[5]; + } + + if (vflag_fdotr) pair_virial_fdotr_compute(this); + + if (vflag_atom) { + if (need_dup) + Kokkos::Experimental::contribute(d_vatom, dup_vatom); + k_vatom.template modify(); + k_vatom.template sync(); + } + + copymode = 0; + + if (evflag) atomKK->modified(execution_space,F_MASK | ENERGY_MASK | VIRIAL_MASK); + else atomKK->modified(execution_space,F_MASK); + + // free duplicated memory + if (need_dup) { + dup_f = decltype(dup_f)(); + dup_vatom = decltype(dup_vatom)(); + } +} + +/* ---------------------------------------------------------------------- */ + +template +template +KOKKOS_INLINE_FUNCTION +void PairDPDTstatKokkos::operator() (TagDPDTstatKokkos, const int &ii) const { + EV_FLOAT ev; + this->template operator()(TagDPDTstatKokkos(), ii, ev); +} + +template +template +KOKKOS_INLINE_FUNCTION +void PairDPDTstatKokkos::operator() (TagDPDTstatKokkos, const int &ii, EV_FLOAT &ev) const { + + // The f array is duplicated for OpenMP, atomic for CUDA, and neither for Serial + + auto v_f = ScatterViewHelper,decltype(dup_f),decltype(ndup_f)>::get(dup_f,ndup_f); + auto a_f = v_f.template access>(); + + int i,j,jj,jnum,itype,jtype; + double xtmp,ytmp,ztmp,delx,dely,delz,fpair; + double vxtmp,vytmp,vztmp,delvx,delvy,delvz; + double rsq,r,rinv,dot,wd,randnum,factor_dpd; + double fx = 0,fy = 0,fz = 0; + + i = d_ilist[ii]; + xtmp = x(i,0); + ytmp = x(i,1); + ztmp = x(i,2); + vxtmp = v(i,0); + vytmp = v(i,1); + vztmp = v(i,2); + itype = type(i); + jnum = d_numneigh[i]; + rand_type rand_gen = rand_pool.get_state(); + for (jj = 0; jj < jnum; jj++) { + j = d_neighbors(i,jj); + factor_dpd = special_lj[sbmask(j)]; + j &= NEIGHMASK; + + delx = xtmp - x(j,0); + dely = ytmp - x(j,1); + delz = ztmp - x(j,2); + rsq = delx*delx + dely*dely + delz*delz; + jtype = type(j); + if (rsq < d_cutsq(itype,jtype)) { + r = sqrt(rsq); + if (r < EPSILON) continue; // r can be 0.0 in DPD systems + rinv = 1.0/r; + delvx = vxtmp - v(j,0); + delvy = vytmp - v(j,1); + delvz = vztmp - v(j,2); + dot = delx*delvx + dely*delvy + delz*delvz; + + wd = 1.0 - r/params(itype,jtype).cut; + + randnum = rand_gen.normal(); + + // drag force - parallel + fpair = -params(itype,jtype).gamma*wd*wd*dot*rinv; + + // random force - parallel + fpair += params(itype,jtype).sigma*wd*randnum*dtinvsqrt; + fpair *= factor_dpd*rinv; + + fx += fpair*delx; + fy += fpair*dely; + fz += fpair*delz; + + a_f(j,0) -= fpair*delx; + a_f(j,1) -= fpair*dely; + a_f(j,2) -= fpair*delz; + + if (VFLAG) + this->template v_tally(ev,i,j,fpair,delx,dely,delz); + } + } + a_f(i,0) += fx; + a_f(i,1) += fy; + a_f(i,2) += fz; + rand_pool.free_state(rand_gen); +} + +/* ---------------------------------------------------------------------- */ + +template +template +KOKKOS_INLINE_FUNCTION +void PairDPDTstatKokkos::v_tally(EV_FLOAT &ev, const int &i, const int &j, + const F_FLOAT &fpair, const F_FLOAT &delx, + const F_FLOAT &dely, const F_FLOAT &delz) const +{ + + // The vatom array is duplicated for OpenMP, atomic for CUDA, and neither for Serial + + auto v_vatom = ScatterViewHelper,decltype(dup_vatom),decltype(ndup_vatom)>::get(dup_vatom,ndup_vatom); + auto a_vatom = v_vatom.template access>(); + + const E_FLOAT v0 = delx*delx*fpair; + const E_FLOAT v1 = dely*dely*fpair; + const E_FLOAT v2 = delz*delz*fpair; + const E_FLOAT v3 = delx*dely*fpair; + const E_FLOAT v4 = delx*delz*fpair; + const E_FLOAT v5 = dely*delz*fpair; + + if (vflag_global) { + ev.v[0] += v0; + ev.v[1] += v1; + ev.v[2] += v2; + ev.v[3] += v3; + ev.v[4] += v4; + ev.v[5] += v5; + } + + if (vflag_atom) { + a_vatom(i,0) += 0.5*v0; + a_vatom(i,1) += 0.5*v1; + a_vatom(i,2) += 0.5*v2; + a_vatom(i,3) += 0.5*v3; + a_vatom(i,4) += 0.5*v4; + a_vatom(i,5) += 0.5*v5; + a_vatom(j,0) += 0.5*v0; + a_vatom(j,1) += 0.5*v1; + a_vatom(j,2) += 0.5*v2; + a_vatom(j,3) += 0.5*v3; + a_vatom(j,4) += 0.5*v4; + a_vatom(j,5) += 0.5*v5; + } +} + +/* ---------------------------------------------------------------------- */ + +template +void PairDPDTstatKokkos::allocate() +{ + PairDPD::allocate(); + int n = atom->ntypes; + + memory->destroy(cutsq); + memoryKK->create_kokkos(k_cutsq,cutsq,n+1,n+1,"pair:cutsq"); + d_cutsq = k_cutsq.template view(); + + k_params = Kokkos::DualView("PairDPD::params",n+1,n+1); + params = k_params.template view(); +} + +/* ---------------------------------------------------------------------- */ + +template +KOKKOS_INLINE_FUNCTION +int PairDPDTstatKokkos::sbmask(const int& j) const { + return j >> SBBITS & 3; +} + +/* ---------------------------------------------------------------------- + init for one type pair i,j and corresponding j,i +------------------------------------------------------------------------- */ + +template +double PairDPDTstatKokkos::init_one(int i, int j) +{ + double cutone = PairDPD::init_one(i,j); + + k_params.h_view(i,j).cut = cut[i][j]; + k_params.h_view(i,j).gamma = gamma[i][j]; + k_params.h_view(i,j).sigma = sigma[i][j]; + k_params.h_view(j,i) = k_params.h_view(i,j); + + k_params.template modify(); + + k_cutsq.h_view(i,j) = cutone*cutone; + k_cutsq.h_view(j,i) = k_cutsq.h_view(i,j); + k_cutsq.template modify(); + + return cutone; +} + +namespace LAMMPS_NS { +template class PairDPDTstatKokkos; +#ifdef LMP_KOKKOS_GPU +template class PairDPDTstatKokkos; +#endif +} diff --git a/src/KOKKOS/pair_dpd_tstat_kokkos.h b/src/KOKKOS/pair_dpd_tstat_kokkos.h new file mode 100644 index 0000000000..ae21cd1a14 --- /dev/null +++ b/src/KOKKOS/pair_dpd_tstat_kokkos.h @@ -0,0 +1,138 @@ +/* -*- c++ -*- ---------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + https://www.lammps.org/, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. +------------------------------------------------------------------------- */ + +#ifdef PAIR_CLASS +// clang-format off +PairStyle(dpd/tstat/kk,PairDPDTstatKokkos); +PairStyle(dpd/tstat/kk/device,PairDPDTstatKokkos); +PairStyle(dpd/tstat/kk/host,PairDPDTstatKokkos); +// clang-format on +#else + +#ifndef LMP_PAIR_DPD_TSTAT_KOKKOS_H +#define LMP_PAIR_DPD_TSTAT_KOKKOS_H + +#include "pair_dpd_tstat.h" +#include "pair_kokkos.h" +#include "kokkos_type.h" + +#if !defined(DPD_USE_RAN_MARS) && !defined(DPD_USE_Random_XorShift64) && !defined(Random_XorShift1024) +#define DPD_USE_Random_XorShift64 +#endif + +#ifdef DPD_USE_RAN_MARS +#include "rand_pool_wrap_kokkos.h" +#else +#include "Kokkos_Random.hpp" +#endif + +namespace LAMMPS_NS { + +template +class PairDPDTstatKokkos : public PairDPDTstat { + public: + typedef DeviceType device_type; + typedef ArrayTypes AT; + typedef EV_FLOAT value_type; + + PairDPDTstatKokkos(class LAMMPS*); + ~PairDPDTstatKokkos() override; + + void allocate() override; + + void init_style() override; + double init_one(int i, int j) override; + void compute(int, int) override; + + struct params_dpd { + KOKKOS_INLINE_FUNCTION + params_dpd() {cut=gamma=sigma=0;} + KOKKOS_INLINE_FUNCTION + params_dpd(int /*i*/) {cut=gamma=sigma=0;} + F_FLOAT cut,gamma,sigma; + }; + + template + struct TagDPDTstatKokkos{}; + + template + KOKKOS_INLINE_FUNCTION + void operator () (TagDPDTstatKokkos, const int &i) const; + + template + KOKKOS_INLINE_FUNCTION + void operator () (TagDPDTstatKokkos, const int &i, EV_FLOAT&) const; + + template + KOKKOS_INLINE_FUNCTION + void v_tally(EV_FLOAT &ev, const int &i, const int &j, + const F_FLOAT &fpair, const F_FLOAT &delx, + const F_FLOAT &dely, const F_FLOAT &delz) const; + private: + double special_lj[4]; + int eflag,vflag; + int neighflag,nlocal; + double dtinvsqrt; + + int need_dup; + + using KKDeviceType = typename KKDevice::value; + + template + using DupScatterView = KKScatterView; + + template + using NonDupScatterView = KKScatterView; + + DupScatterView dup_f; + DupScatterView dup_vatom; + NonDupScatterView ndup_f; + NonDupScatterView ndup_vatom; + +#ifdef DPD_USE_RAN_MARS + RandPoolWrap rand_pool; + typedef RandWrap rand_type; +#elif defined(DPD_USE_Random_XorShift64) + Kokkos::Random_XorShift64_Pool rand_pool; + typedef typename Kokkos::Random_XorShift64_Pool::generator_type rand_type; +#elif defined(DPD_USE_Random_XorShift1024) + Kokkos::Random_XorShift1024_Pool rand_pool; + typedef typename Kokkos::Random_XorShift1024_Pool::generator_type rand_type; +#endif + typename AT::t_x_array_randomread x; + typename AT::t_x_array_randomread v; + typename AT::t_f_array f; + typename AT::t_int_1d_randomread type; + + typename AT::t_neighbors_2d d_neighbors; + typename AT::t_int_1d_randomread d_ilist; + typename AT::t_int_1d_randomread d_numneigh; + + typename AT::tdual_ffloat_2d k_cutsq; + typename AT::t_ffloat_2d d_cutsq; + + Kokkos::DualView k_params; + typename Kokkos::DualView::t_dev_const_um params; + + DAT::tdual_virial_array k_vatom; + typename AT::t_virial_array d_vatom; + + KOKKOS_INLINE_FUNCTION + int sbmask(const int& j) const; + friend void pair_virial_fdotr_compute(PairDPDTstatKokkos*); + +}; +} +#endif +#endif diff --git a/src/KOKKOS/pair_reaxff_kokkos.cpp b/src/KOKKOS/pair_reaxff_kokkos.cpp index 841d9044a8..3bf5c46338 100644 --- a/src/KOKKOS/pair_reaxff_kokkos.cpp +++ b/src/KOKKOS/pair_reaxff_kokkos.cpp @@ -694,7 +694,7 @@ void PairReaxFFKokkos::compute(int eflag_in, int vflag_in) eflag = eflag_in; vflag = vflag_in; - ev_init(eflag,vflag); + ev_init(eflag,vflag,0); atomKK->sync(execution_space,datamask_read); k_params_sing.template sync(); @@ -715,7 +715,7 @@ void PairReaxFFKokkos::compute(int eflag_in, int vflag_in) newton_pair = force->newton_pair; nn = list->inum; - NN = list->inum + list->gnum; + NN = atom->nlocal + atom->nghost; const int inum = list->inum; const int ignum = inum + list->gnum; @@ -958,9 +958,9 @@ void PairReaxFFKokkos::compute(int eflag_in, int vflag_in) count_angular = h_count_angular_torsion(0); count_torsion = h_count_angular_torsion(1); - if (count_angular > d_angular_pack.extent(0)) + if (count_angular > (int)d_angular_pack.extent(0)) d_angular_pack = t_reax_int4_2d("reaxff:angular_pack",(int)(count_angular * 1.1),2); - if (count_torsion > d_torsion_pack.extent(0)) + if (count_torsion > (int)d_torsion_pack.extent(0)) d_torsion_pack = t_reax_int4_2d("reaxff:torsion_pack",(int)(count_torsion * 1.1),2); // need to zero to re-count @@ -2584,8 +2584,6 @@ void PairReaxFFKokkos::compute_angular_sbo(int i, int itype, int j_s const F_FLOAT p_val8 = gp[33]; const F_FLOAT p_val9 = gp[16]; - const F_FLOAT Delta_val = d_total_bo[i] - paramssing(itype).valency_val; - F_FLOAT SBOp = 0.0; F_FLOAT prod_SBO = 1.0; @@ -2710,7 +2708,7 @@ int PairReaxFFKokkos::preprocess_angular(int i, int itype, int j_sta template template KOKKOS_INLINE_FUNCTION -int PairReaxFFKokkos::preprocess_torsion(int i, int itype, int itag, +int PairReaxFFKokkos::preprocess_torsion(int i, int /*itype*/, int itag, F_FLOAT xtmp, F_FLOAT ytmp, F_FLOAT ztmp, int j_start, int j_end, int location_torsion) const { // in reaxff_torsion_angles: j = i, k = j, i = k; @@ -2721,7 +2719,6 @@ int PairReaxFFKokkos::preprocess_torsion(int i, int itype, int itag, int j = d_bo_list[jj]; j &= NEIGHMASK; const tagint jtag = tag(j); - const int jtype = type(j); const int j_index = jj - j_start; // skip half of the interactions diff --git a/src/OPENMP/fix_qeq_reaxff_omp.cpp b/src/OPENMP/fix_qeq_reaxff_omp.cpp index 2bcf639eae..63dd28aa77 100644 --- a/src/OPENMP/fix_qeq_reaxff_omp.cpp +++ b/src/OPENMP/fix_qeq_reaxff_omp.cpp @@ -237,7 +237,7 @@ void FixQEqReaxFFOMP::init_storage() #if defined(_OPENMP) #pragma omp parallel for schedule(static) #endif - for (int i = 0; i < NN; i++) { + for (int i = 0; i < nn; i++) { Hdia_inv[i] = 1. / eta[atom->type[i]]; b_s[i] = -chi[atom->type[i]]; if (efield) b_s[i] -= chi_field[i]; @@ -254,17 +254,13 @@ void FixQEqReaxFFOMP::pre_force(int /* vflag */) { if (update->ntimestep % nevery) return; - int n = atom->nlocal; - if (reaxff) { nn = reaxff->list->inum; - NN = reaxff->list->inum + reaxff->list->gnum; ilist = reaxff->list->ilist; numneigh = reaxff->list->numneigh; firstneigh = reaxff->list->firstneigh; } else { nn = list->inum; - NN = list->inum + list->gnum; ilist = list->ilist; numneigh = list->numneigh; firstneigh = list->firstneigh; @@ -274,7 +270,7 @@ void FixQEqReaxFFOMP::pre_force(int /* vflag */) // need to be atom->nmax in length if (atom->nmax > nmax) reallocate_storage(); - if (n > n_cap*DANGER_ZONE || m_fill > m_cap*DANGER_ZONE) + if (atom->nlocal > n_cap*DANGER_ZONE || m_fill > m_cap*DANGER_ZONE) reallocate_matrix(); if (efield) get_chi_field(); @@ -487,6 +483,9 @@ void FixQEqReaxFFOMP::sparse_matvec(sparse_matrix *A, double *x, double *b) { int i, j, itr_j; int ii; + int nlocal = atom->nlocal; + int nall = atom->nlocal + atom->nghost; + int nthreads = comm->nthreads; #if defined(_OPENMP) int tid = omp_get_thread_num(); @@ -505,15 +504,14 @@ void FixQEqReaxFFOMP::sparse_matvec(sparse_matrix *A, double *x, double *b) #if defined(_OPENMP) #pragma omp for schedule(dynamic,50) #endif - for (ii = nn; ii < NN; ++ii) { - i = ilist[ii]; + for (i = nlocal; i < nall; ++i) { if (atom->mask[i] & groupbit) b[i] = 0; } #if defined(_OPENMP) #pragma omp for schedule(dynamic,50) #endif - for (i = 0; i < NN; ++i) + for (i = 0; i < nall; ++i) for (int t=0; tnlocal; + int nall = atom->nlocal + atom->nghost; int nthreads = comm->nthreads; #if defined(_OPENMP) @@ -838,8 +838,7 @@ void FixQEqReaxFFOMP::dual_sparse_matvec(sparse_matrix *A, double *x1, double *x #if defined(_OPENMP) #pragma omp for schedule(dynamic,50) #endif - for (ii = nn; ii < NN; ++ii) { - i = ilist[ii]; + for (i = nlocal; i < nall; ++i) { if (atom->mask[i] & groupbit) { indxI = 2 * i; b[indxI] = 0; @@ -850,7 +849,7 @@ void FixQEqReaxFFOMP::dual_sparse_matvec(sparse_matrix *A, double *x1, double *x #if defined(_OPENMP) #pragma omp for schedule(dynamic,50) #endif - for (i = 0; i < NN; ++i) { + for (i = 0; i < nall; ++i) { indxI = 2 * i; for (int t=0; tnlocal; + int nall = atom->nlocal + atom->nghost; int nthreads = comm->nthreads; #if defined(_OPENMP) @@ -929,8 +930,7 @@ void FixQEqReaxFFOMP::dual_sparse_matvec(sparse_matrix *A, double *x, double *b) #if defined(_OPENMP) #pragma omp for schedule(dynamic,50) #endif - for (ii = nn; ii < NN; ++ii) { - i = ilist[ii]; + for (i = nlocal; i < nall; ++i) { if (atom->mask[i] & groupbit) { indxI = 2 * i; b[indxI] = 0; @@ -941,7 +941,7 @@ void FixQEqReaxFFOMP::dual_sparse_matvec(sparse_matrix *A, double *x, double *b) #if defined(_OPENMP) #pragma omp for schedule(dynamic,50) #endif - for (i = 0; i < NN; ++i) { + for (i = 0; i < nall; ++i) { indxI = 2 * i; for (int t=0; tget_fix_list()) { if (utils::strmatch(ifix->style, "^poems")) pflag = true; if (pflag && (ifix->setmask() & POST_FORCE) && !ifix->rigid_flag) - if (comm->me == 0) error->warning(FLERR, "Fix {} alters forces after fix poems", ifix->id); + if (comm->me == 0) + error->warning(FLERR,"Fix {} with ID {} alters forces after fix poems", + ifix->style, ifix->id); } } diff --git a/src/REAXFF/fix_acks2_reaxff.cpp b/src/REAXFF/fix_acks2_reaxff.cpp index c3457d1712..26b1d00203 100644 --- a/src/REAXFF/fix_acks2_reaxff.cpp +++ b/src/REAXFF/fix_acks2_reaxff.cpp @@ -203,7 +203,8 @@ void FixACKS2ReaxFF::pertype_parameters(char *arg) void FixACKS2ReaxFF::allocate_storage() { nmax = atom->nmax; - int size = nmax*2 + 2; + NN = atom->nlocal + atom->nghost; + const int size = nmax*2 + 2; // 0 to nn-1: owned atoms related to H matrix // nn to NN-1: ghost atoms related to H matrix @@ -329,17 +330,15 @@ void FixACKS2ReaxFF::pre_force(int /*vflag*/) { if (update->ntimestep % nevery) return; - int n = atom->nlocal; + NN = atom->nlocal + atom->nghost; if (reaxff) { nn = reaxff->list->inum; - NN = reaxff->list->inum + reaxff->list->gnum; ilist = reaxff->list->ilist; numneigh = reaxff->list->numneigh; firstneigh = reaxff->list->firstneigh; } else { nn = list->inum; - NN = list->inum + list->gnum; ilist = list->ilist; numneigh = list->numneigh; firstneigh = list->firstneigh; @@ -349,7 +348,7 @@ void FixACKS2ReaxFF::pre_force(int /*vflag*/) // need to be atom->nmax in length if (atom->nmax > nmax) reallocate_storage(); - if (n > n_cap*DANGER_ZONE || m_fill > m_cap*DANGER_ZONE) + if (atom->nlocal > n_cap*DANGER_ZONE || m_fill > m_cap*DANGER_ZONE) reallocate_matrix(); if (efield) get_chi_field(); @@ -626,8 +625,7 @@ void FixACKS2ReaxFF::sparse_matvec_acks2(sparse_matrix *H, sparse_matrix *X, dou } } - for (ii = nn; ii < NN; ++ii) { - i = ilist[ii]; + for (i = atom->nlocal; i < NN; ++i) { if (atom->mask[i] & groupbit) { b[i] = 0; b[NN + i] = 0; @@ -674,38 +672,34 @@ void FixACKS2ReaxFF::sparse_matvec_acks2(sparse_matrix *H, sparse_matrix *X, dou void FixACKS2ReaxFF::calculate_Q() { - int i, k; + pack_flag = 2; + comm->forward_comm(this); //Dist_vector(s); - for (int ii = 0; ii < nn; ++ii) { - i = ilist[ii]; + for (int i = 0; i < NN; ++i) { if (atom->mask[i] & groupbit) { - /* backup s */ - for (k = nprev-1; k > 0; --k) { - s_hist[i][k] = s_hist[i][k-1]; - s_hist_X[i][k] = s_hist_X[i][k-1]; + atom->q[i] = s[i]; + + if (i < atom->nlocal) { + + /* backup s */ + for (int k = nprev-1; k > 0; --k) { + s_hist[i][k] = s_hist[i][k-1]; + s_hist_X[i][k] = s_hist_X[i][k-1]; + } + s_hist[i][0] = s[i]; + s_hist_X[i][0] = s[NN+i]; } - s_hist[i][0] = s[i]; - s_hist_X[i][0] = s[NN+i]; } } // last two rows if (last_rows_flag) { for (int i = 0; i < 2; ++i) { - for (k = nprev-1; k > 0; --k) + for (int k = nprev-1; k > 0; --k) s_hist_last[i][k] = s_hist_last[i][k-1]; s_hist_last[i][0] = s[2*NN+i]; } } - - pack_flag = 2; - comm->forward_comm(this); //Dist_vector(s); - - for (int ii = 0; ii < NN; ++ii) { - i = ilist[ii]; - if (atom->mask[i] & groupbit) - atom->q[i] = s[i]; - } } /* ---------------------------------------------------------------------- */ diff --git a/src/REAXFF/fix_acks2_reaxff.h b/src/REAXFF/fix_acks2_reaxff.h index 2d21f80fe0..27ba196bbd 100644 --- a/src/REAXFF/fix_acks2_reaxff.h +++ b/src/REAXFF/fix_acks2_reaxff.h @@ -37,7 +37,7 @@ class FixACKS2ReaxFF : public FixQEqReaxFF { double *get_s() { return s; } protected: - int last_rows_rank, last_rows_flag; + int NN, last_rows_rank, last_rows_flag; double **s_hist_X, **s_hist_last; double *bcut_acks2, bond_softness, **bcut; // acks2 parameters diff --git a/src/REAXFF/fix_qeq_reaxff.cpp b/src/REAXFF/fix_qeq_reaxff.cpp index c2469ee9eb..b6c53aa977 100644 --- a/src/REAXFF/fix_qeq_reaxff.cpp +++ b/src/REAXFF/fix_qeq_reaxff.cpp @@ -104,7 +104,7 @@ FixQEqReaxFF::FixQEqReaxFF(LAMMPS *lmp, int narg, char **arg) : shld = nullptr; nn = n_cap = 0; - NN = nmax = 0; + nmax = 0; m_fill = m_cap = 0; pack_flag = 0; s = nullptr; @@ -319,7 +319,7 @@ void FixQEqReaxFF::reallocate_storage() void FixQEqReaxFF::allocate_matrix() { - int i,ii,n,m; + int i,ii,m; int mincap; double safezone; @@ -332,8 +332,7 @@ void FixQEqReaxFF::allocate_matrix() safezone = REAX_SAFE_ZONE; } - n = atom->nlocal; - n_cap = MAX((int)(n * safezone), mincap); + n_cap = MAX((int)(atom->nlocal * safezone), mincap); // determine the total space for the H matrix @@ -493,13 +492,11 @@ void FixQEqReaxFF::setup_pre_force(int vflag) { if (reaxff) { nn = reaxff->list->inum; - NN = reaxff->list->inum + reaxff->list->gnum; ilist = reaxff->list->ilist; numneigh = reaxff->list->numneigh; firstneigh = reaxff->list->firstneigh; } else { nn = list->inum; - NN = list->inum + list->gnum; ilist = list->ilist; numneigh = list->numneigh; firstneigh = list->firstneigh; @@ -537,7 +534,7 @@ void FixQEqReaxFF::init_storage() { if (efield) get_chi_field(); - for (int ii = 0; ii < NN; ii++) { + for (int ii = 0; ii < nn; ii++) { int i = ilist[ii]; if (atom->mask[i] & groupbit) { Hdia_inv[i] = 1. / eta[atom->type[i]]; @@ -561,13 +558,11 @@ void FixQEqReaxFF::pre_force(int /*vflag*/) if (reaxff) { nn = reaxff->list->inum; - NN = reaxff->list->inum + reaxff->list->gnum; ilist = reaxff->list->ilist; numneigh = reaxff->list->numneigh; firstneigh = reaxff->list->firstneigh; } else { nn = list->inum; - NN = list->inum + list->gnum; ilist = list->ilist; numneigh = list->numneigh; firstneigh = list->firstneigh; @@ -791,11 +786,9 @@ void FixQEqReaxFF::sparse_matvec(sparse_matrix *A, double *x, double *b) b[i] = eta[atom->type[i]] * x[i]; } - for (ii = nn; ii < NN; ++ii) { - i = ilist[ii]; - if (atom->mask[i] & groupbit) + int nall = atom->nlocal + atom->nghost; + for (i = atom->nlocal; i < nall; ++i) b[i] = 0; - } for (ii = 0; ii < nn; ++ii) { i = ilist[ii]; diff --git a/src/REAXFF/fix_qeq_reaxff.h b/src/REAXFF/fix_qeq_reaxff.h index 5ebb410a10..f0f46ed4ce 100644 --- a/src/REAXFF/fix_qeq_reaxff.h +++ b/src/REAXFF/fix_qeq_reaxff.h @@ -59,7 +59,7 @@ class FixQEqReaxFF : public Fix { protected: int nevery, reaxflag; int matvecs; - int nn, NN, m_fill; + int nn, m_fill; int n_cap, nmax, m_cap; int pack_flag; int nlevels_respa; diff --git a/src/RIGID/fix_rigid.cpp b/src/RIGID/fix_rigid.cpp index 6b211d05bf..780dbd66f5 100644 --- a/src/RIGID/fix_rigid.cpp +++ b/src/RIGID/fix_rigid.cpp @@ -693,7 +693,8 @@ void FixRigid::init() for (auto ifix : modify->get_fix_list()) { if (ifix->rigid_flag) rflag = true; if ((comm->me == 0) && rflag && (ifix->setmask() & POST_FORCE) && !ifix->rigid_flag) - error->warning(FLERR,"Fix {} alters forces after fix rigid", ifix->id); + error->warning(FLERR,"Fix {} with ID {} alters forces after fix rigid", + ifix->style, ifix->id); } } diff --git a/src/RIGID/fix_rigid_small.cpp b/src/RIGID/fix_rigid_small.cpp index 5c524c832b..45aadd845f 100644 --- a/src/RIGID/fix_rigid_small.cpp +++ b/src/RIGID/fix_rigid_small.cpp @@ -538,7 +538,8 @@ void FixRigidSmall::init() for (auto ifix : modify->get_fix_list()) { if (ifix->rigid_flag) rflag = true; if ((comm->me == 0) && rflag && (ifix->setmask() & POST_FORCE) && !ifix->rigid_flag) - error->warning(FLERR,"Fix {} alters forces after fix rigid", ifix->id); + error->warning(FLERR,"Fix {} with ID {} alters forces after fix rigid/small", + ifix->style, ifix->id); } } diff --git a/src/VTK/dump_vtk.cpp b/src/VTK/dump_vtk.cpp index e1b4d19713..fd7f4b2c2b 100644 --- a/src/VTK/dump_vtk.cpp +++ b/src/VTK/dump_vtk.cpp @@ -1916,7 +1916,12 @@ void DumpVTK::identify_vectors() name.count(vector3_starts[v3s]+2) ) { std::string vectorName = name[vector3_starts[v3s]]; - vectorName.erase(vectorName.find_first_of('x')); + std::string::size_type erase_start = vectorName.find_first_of('x'); + if (erase_start == 0) { + vectorName.erase(0,1); + } else { + vectorName.erase(erase_start); + } name[vector3_starts[v3s]] = vectorName; vector_set.insert(vector3_starts[v3s]); } diff --git a/src/modify.cpp b/src/modify.cpp index 7c6f8e4ae3..7554079e2a 100644 --- a/src/modify.cpp +++ b/src/modify.cpp @@ -249,11 +249,11 @@ void Modify::init() for (i = 0; i < nfix; i++) if (!fix[i]->dynamic_group_allow && group->dynamic[fix[i]->igroup]) - error->all(FLERR, "Fix {} does not allow use with a dynamic group", fix[i]->id); + error->all(FLERR, "Fix {} does not allow use with a dynamic group", fix[i]->style); for (i = 0; i < ncompute; i++) if (!compute[i]->dynamic_group_allow && group->dynamic[compute[i]->igroup]) - error->all(FLERR, "Compute {} does not allow use with a dynamic group", compute[i]->id); + error->all(FLERR, "Compute {} does not allow use with a dynamic group", compute[i]->style); // warn if any particle is time integrated more than once