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665bb5887d
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update makefiles for meam to use fm_exp() and remove obsolete ones
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2016-05-03 10:01:26 -04:00 |
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1b78b34323
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permission cleanup
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2016-04-16 14:48:28 -04:00 |
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b3d9ea1344
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whitespace cleanup
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2016-04-16 14:46:53 -04:00 |
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9297032ed4
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use generic byte order preprocessor detection for fast math routines
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2016-04-16 14:43:34 -04:00 |
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32123d875f
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forgot file with dependencies
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2016-03-11 07:18:33 -05:00 |
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e14762f7a1
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provide explicit dependencies in lib/meam for parallel make
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2016-03-11 07:10:21 -05:00 |
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f634a5e140
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remove executable flag from makefiles
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2015-10-26 22:41:04 -04:00 |
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e2f07a155c
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MEAM library does not play well with clang. force using gcc
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2015-08-19 17:24:57 -04:00 |
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546a777f2a
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avoid underflows with exponentials
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2015-07-16 16:57:57 -04:00 |
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ded64a9e03
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update cross compiling makefiles
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2014-09-03 18:33:02 +02:00 |
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b0ea404122
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use faster math exp() in meam library code. 10x faster with GNU.
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2014-09-01 18:55:59 +02:00 |
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ead40dfa7e
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add sanity checks for input parameters.
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2013-09-29 18:34:55 +02:00 |
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b5deac416e
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include debug info, when compiling MEAM library
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2013-09-29 18:34:41 +02:00 |
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d45dd25ce6
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add wrapper makefiles that allow to use non-MPI libraries and makefiles
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2013-06-25 11:50:00 +02:00 |
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9eeccbfffb
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update for building lib/meam with mingw cross compilers
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2013-06-14 20:59:52 +02:00 |
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5da358bf54
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add makefiles for building 32-bit executables on 64-bit x86 Linux
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2013-06-01 18:34:50 +02:00 |
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ce2b853e4a
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Merge remote branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
doc/Eqs/pair_gauss.jpg
doc/Manual.txt
doc/pair_list.html
doc/pair_list.txt
lib/atc/Makefile.lammps.linalg
lib/awpmd/Makefile.lammps.linalg
lib/gpu/Makefile.lincoln
lib/linalg/Makefile.gfortran
lib/linalg/Makefile.mingw_cross
lib/linalg/README
lib/reax/Makefile.lammps
src/USER-CG-CMM/Install.sh
src/USER-COLVARS/Install.sh
src/USER-CUDA/Install.sh
src/USER-MISC/Install.sh
src/USER-MISC/pair_list.cpp
src/USER-OMP/Install.sh
src/USER-PHONON/Install.sh
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2013-06-01 13:53:34 +02:00 |
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6b0299ef8b
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9983 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-05-30 21:04:06 +00:00 |
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5da43fc24a
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9976 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-05-30 19:56:15 +00:00 |
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c5bdb0c989
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9971 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-05-30 19:43:25 +00:00 |
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2abcef3603
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9970 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-05-30 19:39:16 +00:00 |
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91b79997d1
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finalized concurrent multi-platform support for windows 32/64 and linux
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2013-05-18 18:41:30 +02:00 |
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3d91565a48
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Merge branch 'master' into lammps-icms
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2012-09-11 05:01:19 -04:00 |
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49ceafd447
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8756 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-09-07 23:08:36 +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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f2bade874d
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8647 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-08-14 14:21:56 +00:00 |
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d4c275d4cc
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update library makefiles for cross-compilation with new compile
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2012-06-01 00:59:15 -04:00 |
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481b12a04a
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compile meam lib with optimization
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2012-04-28 19:34:01 -04:00 |
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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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21e591dba1
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Merge branch 'master' into openmp-master
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2011-12-01 10:48:05 -05:00 |
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4badd69f3e
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Added settings for glory Intel v.11
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7243 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-11-30 15:36:15 +00:00 |
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61796505fd
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adjust for local setup.
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2011-08-19 18:40:36 -04:00 |
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d22491de17
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6729 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-08-18 17:32:34 +00:00 |
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84b5b0bef8
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6727 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-08-18 17:32:05 +00:00 |
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5f6811f4e0
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6544 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-07-19 18:31:58 +00:00 |
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eac710420d
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Merge branch 'master' into lammps-icms
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2011-02-23 10:58:07 -05:00 |
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81b600132e
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5701 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-02-22 20:30:53 +00:00 |
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138fbced08
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add makefiles for kraken
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2010-11-24 17:33:11 -05:00 |
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3bc83ae8e6
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add configuration for TACC's ranger machine.
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2010-11-24 14:58:33 -05:00 |
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01e8c65648
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import makefiles for compiling on NCSA lincoln/abe
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2010-11-22 20:44:49 -05:00 |
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f1118ab41d
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Merge branch 'master' into lammps-icms
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2010-10-07 09:59:17 -04:00 |
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ecbd64b062
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4975 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2010-10-06 14:56:50 +00:00 |
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8d906fc566
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Merge branch 'master' into lammps-icms
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2010-08-31 09:34:45 -04:00 |
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7702ca9d35
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4621 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2010-08-30 17:16:12 +00:00 |
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7533674086
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improve port to MinGW cross-compilation on linux.
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2010-08-06 21:43:28 -04:00 |
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350a269e24
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4249 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2010-06-14 21:56:40 +00:00 |
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0ef2356659
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3160 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2009-09-16 14:58:03 +00:00 |
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14254f023a
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3133 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2009-08-31 16:50:13 +00:00 |
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c798aa703a
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3129 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2009-08-31 15:46:30 +00:00 |
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