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dc2259535b
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make fft benchmark test optional
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2013-02-11 22:15:15 +01:00 |
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8ba1c4c565
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Merge branch 'master' into lammps-icms
Resolved Conflicts:
src/REPLICA/prd.cpp
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2012-10-19 10:00:40 -04:00 |
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6984d53442
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8950 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-10-12 15:40:45 +00:00 |
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c6552844ab
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Merge branch 'master' into lammps-icms
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2012-08-25 16:21:28 -04:00 |
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f5ec88d740
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Splitting 1d and 3d FFT timings.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8710 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-08-23 22:31:33 +00:00 |
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ffc41c52c5
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Merge branch 'master' into lammps-icms
Resolved Conflicts:
lib/meam/Makefile.gfortran
lib/poems/Makefile.g++
lib/reax/Makefile.gfortran
python/lammps.py
src/USER-CUDA/cuda.cpp
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2012-08-15 08:38:04 -04:00 |
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d615f1191e
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8621 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-08-13 19:56:01 +00:00 |
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4b6667811e
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Merge branch 'master' into lammps-icms
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2012-08-07 16:31:12 -04:00 |
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9631345b05
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8530 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-08-06 21:05:10 +00:00 |
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ba52802331
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Merge branch 'master' into lammps-icms
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2012-08-06 07:56:28 -04:00 |
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bb9541993c
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8526 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-08-04 19:30:28 +00:00 |
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b9e3af4a9a
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Merge branch 'master' into lammps-icms
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2012-08-03 09:15:12 -04:00 |
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d33a0604e2
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8524 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-08-02 17:59:22 +00:00 |
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adc385d450
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Need more samples in order to get a non-zero timing for kspace FFT flops calculation. Boosting from 5 to 1000.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8523 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-08-02 17:12:44 +00:00 |
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55b3a439e7
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whitespace fixes
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2012-06-14 10:46:04 -04:00 |
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48aa45f7f0
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Merge branch 'master' into lammps-icms
Resolved Conflicts (i hope):
src/REPLICA/neb.cpp
src/REPLICA/prd.cpp
src/REPLICA/tad.cpp
src/REPLICA/verlet_split.cpp
src/USER-CUDA/atom_vec_angle_cuda.h
src/USER-CUDA/atom_vec_atomic_cuda.h
src/USER-CUDA/atom_vec_charge_cuda.h
src/USER-CUDA/atom_vec_full_cuda.h
src/USER-CUDA/compute_pe_cuda.h
src/USER-CUDA/compute_pressure_cuda.h
src/USER-CUDA/compute_temp_cuda.h
src/USER-CUDA/compute_temp_partial_cuda.h
src/USER-CUDA/cuda.cpp
src/USER-CUDA/cuda.h
src/USER-CUDA/cuda_data.h
src/USER-CUDA/cuda_neigh_list.h
src/USER-CUDA/fft3d_cuda.h
src/USER-CUDA/fft3d_wrap_cuda.h
src/USER-CUDA/fix_addforce_cuda.h
src/USER-CUDA/fix_aveforce_cuda.h
src/USER-CUDA/fix_enforce2d_cuda.h
src/USER-CUDA/fix_freeze_cuda.h
src/USER-CUDA/fix_gravity_cuda.h
src/USER-CUDA/fix_nve_cuda.h
src/USER-CUDA/fix_set_force_cuda.h
src/USER-CUDA/fix_temp_berendsen_cuda.h
src/USER-CUDA/fix_temp_rescale_cuda.h
src/USER-CUDA/fix_temp_rescale_limit_cuda.h
src/USER-CUDA/fix_viscous_cuda.h
src/USER-CUDA/pair_born_coul_long_cuda.h
src/USER-CUDA/pair_buck_coul_cut_cuda.h
src/USER-CUDA/pair_buck_coul_long_cuda.h
src/USER-CUDA/pair_buck_cuda.h
src/USER-CUDA/pair_cg_cmm_coul_cut_cuda.cpp
src/USER-CUDA/pair_cg_cmm_coul_cut_cuda.h
src/USER-CUDA/pair_cg_cmm_coul_debye_cuda.cpp
src/USER-CUDA/pair_cg_cmm_coul_debye_cuda.h
src/USER-CUDA/pair_cg_cmm_coul_long_cuda.cpp
src/USER-CUDA/pair_cg_cmm_coul_long_cuda.h
src/USER-CUDA/pair_cg_cmm_cuda.cpp
src/USER-CUDA/pair_cg_cmm_cuda.h
src/USER-CUDA/pair_eam_cuda.h
src/USER-CUDA/pair_gran_hooke_cuda.h
src/USER-CUDA/pair_lj96_cut_cuda.h
src/USER-CUDA/pair_lj_charmm_coul_charmm_cuda.h
src/USER-CUDA/pair_lj_charmm_coul_charmm_implicit_cuda.h
src/USER-CUDA/pair_lj_charmm_coul_long_cuda.h
src/USER-CUDA/pair_lj_class2_coul_cut_cuda.h
src/USER-CUDA/pair_lj_class2_coul_long_cuda.h
src/USER-CUDA/pair_lj_class2_cuda.h
src/USER-CUDA/pair_lj_cut_coul_cut_cuda.h
src/USER-CUDA/pair_lj_cut_coul_debye_cuda.h
src/USER-CUDA/pair_lj_cut_coul_long_cuda.h
src/USER-CUDA/pair_lj_cut_cuda.h
src/USER-CUDA/pair_lj_cut_experimental_cuda.h
src/USER-CUDA/pair_lj_expand_cuda.h
src/USER-CUDA/pair_lj_gromacs_coul_gromacs_cuda.h
src/USER-CUDA/pair_lj_gromacs_cuda.h
src/USER-CUDA/pair_lj_sdk_coul_long_cuda.cpp
src/USER-CUDA/pair_lj_sdk_coul_long_cuda.h
src/USER-CUDA/pair_lj_sdk_cuda.h
src/USER-CUDA/pair_lj_smooth_cuda.h
src/USER-CUDA/pair_morse_cuda.h
src/USER-CUDA/pair_sw_cuda.h
src/USER-CUDA/pair_tersoff_cuda.h
src/USER-CUDA/pair_tersoff_zbl_cuda.h
src/USER-CUDA/pppm_cuda.h
src/USER-CUDA/verlet_cuda.cpp
src/USER-CUDA/verlet_cuda.h
src/comm.cpp
src/finish.cpp
src/fix_rigid_nvt.h
src/respa.cpp
src/run.cpp
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2012-06-07 16:42:38 -04:00 |
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ef9e700545
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8226 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-06-06 22:47:51 +00:00 |
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3c8cacdebe
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Merge branch 'master' into lammps-icms
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2012-05-09 09:11:11 -04:00 |
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819fcd6bb8
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Added space to FullNghs output
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8049 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-05-07 20:26:11 +00:00 |
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be28194782
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there is room for one more digit accuracy in the output
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2012-02-13 20:04:18 -05:00 |
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f07d2b5cb9
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fix bug when recomputing natoms
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2012-02-06 14:36:42 -05:00 |
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5f580b66d7
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7701 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-02-06 15:18:58 +00:00 |
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dd0057e650
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Merge branch 'master' into lammps-icms
Resolved Conflicts:
src/USER-MISC/pair_meam_spline.h
tools/pymol_asphere/src/error.cpp
tools/restart2data.cpp
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2012-02-04 13:12:51 -05:00 |
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7fb5f449e4
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7686 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-02-03 20:03:29 +00:00 |
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352b15cd9c
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resolve more issues from merge with upstream
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2011-12-31 20:27:05 -05:00 |
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2214992035
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Merge branch 'openmp-master' into lammps-icms
Resolved Conflicts:
.gitignore
doc/fix_spring_self.txt
lib/atc/Array.h
lib/gpu/.gitignore
src/.gitignore
src/MAKE/Makefile.openmpi
src/MAKE/Makefile.openmpi-omp
src/STUBS/Makefile
src/STUBS/mpi.c
src/STUBS/mpi.h
src/USER-CG-CMM/cg_cmm_parms.h
src/dump.h
src/fix_spring_self.cpp
tools/restart2data.cpp
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2011-12-31 19:59:13 -05:00 |
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9259ae8699
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Merge branch 'master' into lammps-icms
Resolved Conflicts:
doc/Eqs/pair_coul_diel.jpg
doc/Section_commands.html
doc/Section_commands.txt
doc/pair_coul_diel.html
doc/pair_coul_diel.txt
doc/processors.html
doc/processors.txt
examples/USER/imd/bucky_cnt_imd.vmd
examples/USER/imd/in.bucky-plus-cnt
examples/USER/imd/in.deca-ala-solv_imd
examples/USER/imd/in.deca-ala_imd
lib/gpu/Makefile.fermi
lib/gpu/Makefile.lincoln
lib/gpu/Makefile.longhorn
lib/gpu/Makefile.serial
lib/gpu/geryon/VERSION.txt
lib/gpu/pair_gpu_device.cpp
src/ASPHERE/atom_vec_ellipsoid.cpp
src/CLASS2/Install.sh
src/COLLOID/atom_vec_colloid.cpp
src/DIPOLE/atom_vec_dipole.cpp
src/GPU/fix_gpu.cpp
src/GRANULAR/atom_vec_granular.cpp
src/GRANULAR/fix_pour.h
src/KSPACE/Install.sh
src/KSPACE/fft3d.cpp
src/KSPACE/fft3d.h
src/KSPACE/kissfft.h
src/KSPACE/pppm.cpp
src/KSPACE/pppm.h
src/KSPACE/pppm_tip4p.cpp
src/MAKE/Makefile.openmpi
src/MAKE/Makefile.serial
src/MANYBODY/pair_airebo.cpp
src/MANYBODY/pair_comb.cpp
src/MANYBODY/pair_eam.cpp
src/MANYBODY/pair_eim.cpp
src/MANYBODY/pair_sw.cpp
src/MANYBODY/pair_tersoff.cpp
src/MANYBODY/pair_tersoff_zbl.cpp
src/MOLECULE/atom_vec_angle.cpp
src/MOLECULE/atom_vec_bond.cpp
src/MOLECULE/atom_vec_full.cpp
src/MOLECULE/atom_vec_molecular.cpp
src/Makefile
src/Makefile.lib
src/PERI/atom_vec_peri.cpp
src/USER-CG-CMM/Install.sh
src/USER-IMD/README
src/USER-IMD/fix_imd.cpp
src/USER-IMD/fix_imd.h
src/USER-SMD/Install.sh
src/atom_vec_atomic.cpp
src/atom_vec_charge.cpp
src/comm.cpp
src/finish.cpp
src/fix_box_relax.cpp
src/fix_deposit.cpp
src/fix_spring_self.cpp
src/fix_store_state.cpp
src/fix_wall.cpp
src/fix_wall_reflect.cpp
src/input.cpp
src/input.h
src/memory.cpp
src/memory.h
src/pair_lj_cut.cpp
tools/restart2data.cpp
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2011-12-31 19:07:46 -05:00 |
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2b97a34844
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Merge branch 'master' into openmp-master
Resolved Conflicts:
src/REPLICA/neb.cpp
src/REPLICA/prd.cpp
src/REPLICA/tad.cpp
src/REPLICA/temper.cpp
src/min.cpp
src/minimize.cpp
src/run.cpp
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2011-12-09 09:40:19 -05:00 |
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b1334c1314
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7311 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-12-08 18:32:19 +00:00 |
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24bedd7ac5
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reinstate the ns/day summary for "real" and "metal" units
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2011-11-03 22:26:34 -04:00 |
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74fdaea4b5
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cleaner output formatting for OpenMP case.
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2011-10-28 12:29:01 -04:00 |
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c8aad060be
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more detailed and readable timing output
with min/max added for use with load balancing
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2011-10-26 20:59:26 -04:00 |
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0023fb24ad
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simplify timing output summary with local function
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2011-10-02 14:06:11 -04:00 |
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78b0055319
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Merge branch 'ak-fix' into openmp-step2
Resolved Conflicts:
src/COLLOID/pair_colloid.cpp
src/pair_table.cpp
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2011-09-24 13:55:42 -04:00 |
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19e8c92a90
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7003 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-09-23 18:06:55 +00:00 |
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14b7c90549
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extended timer output in finish.cpp
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2011-09-08 08:48:29 -04:00 |
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488eca7165
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implemented improved timer class
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2011-08-26 18:39:14 -04:00 |
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d0efe70181
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6817 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-08-25 22:25:06 +00:00 |
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85aa73903c
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6476 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-06-28 16:07:57 +00:00 |
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1f2a7add78
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5836 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-03-26 00:50:29 +00:00 |
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d5b494397e
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5547 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-01-14 15:53:06 +00:00 |
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a47e493dfd
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Merge branch 'master' into lammps-icms
Conflicts resolved in:
doc/Section_commands.html
src/USER-IMD/fix_imd.cpp
src/finish.cpp
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2011-01-10 10:06:21 -05:00 |
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140cdf9485
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5504 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-01-07 21:42:19 +00:00 |
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5aa419d3d3
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Merge branch 'master' into lammps-icms
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2011-01-07 09:28:18 -05:00 |
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01db59bea3
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5498 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-01-06 23:23:37 +00:00 |
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582ce0423f
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Merge branch 'master' into lammps-icms
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2011-01-06 12:14:18 -05:00 |
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c531b460b4
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Merge branch 'master' into lammps-icms
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2011-01-05 12:36:24 -05:00 |
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e8ca445bfe
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5478 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-01-05 15:39:37 +00:00 |
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2b8ae7a82f
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Added tad example
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5477 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-01-05 00:30:27 +00:00 |
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55e8b2bee6
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5476 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-01-05 00:29:35 +00:00 |
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