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b46ddebe3e
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Merge remote branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
doc/Manual.txt
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2013-09-05 14:02:35 +02:00 |
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5302074b3f
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ATC version 2.0, date: Sep1
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10709 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-09-01 08:07:54 +00:00 |
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2c30d74d8d
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Merge remote branch 'lammps-ro/master' into lammps-icms
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2013-08-29 16:14:12 +02:00 |
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07e3b8c7d7
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ATC version 2.0, date: Aug28
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10696 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-08-28 22:16:56 +00:00 |
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1ca6fb0f81
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
lib/atc/CbEam.h
src/USER-ATC/Install.sh
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2013-08-23 13:31:30 +02:00 |
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31b31f0a6a
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ATC version 2.0, date: Aug22
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10659 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-08-23 00:14:37 +00:00 |
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eacdc7e58c
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not for release
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10656 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-08-22 23:54:35 +00:00 |
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a04f267b54
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ATC version 2.0, date: Aug22
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10655 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-08-22 23:31:13 +00:00 |
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6297a32d9b
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Respolved Conflicts:
doc/Manual.txt
lib/atc/CbEam.h
lib/atc/LammpsInterface.cpp
lib/atc/LammpsInterface.h
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2013-08-22 13:04:27 +02:00 |
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2b9951bf56
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Including info on cauchy_born examples.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10642 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-08-22 00:22:23 +00:00 |
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b22a8a7b61
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ATC version 2.0, date: Aug21
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10639 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-08-21 23:06:11 +00:00 |
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7d0fe14fdb
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Updated to current set of examples.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10636 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-08-21 22:57:26 +00:00 |
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2d63313b24
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obsolete
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10635 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-08-21 22:49:06 +00:00 |
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546d3c4e61
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remove log file
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10580 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-08-14 01:55:53 +00:00 |
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8bbf508fb0
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remove unwanted file
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2013-08-13 06:27:16 +02:00 |
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c931a450c0
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Merge remote-tracking branch 'lammps-ro/master' into atc-merge
Resolved Conflicts:
doc/Manual.txt
src/USER-ATC/Install.sh
tools/msi2lmp/biosym_frc_files/README
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2013-08-08 14:02:03 +02:00 |
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2629a8389d
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ATC version 2.0, date: Aug7
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10562 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-08-07 21:34:59 +00:00 |
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666de878ad
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ATC version 2.0, date: Aug7
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10558 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-08-07 21:29:05 +00:00 |
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77f06b1dfe
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Merge remote branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
doc/Manual.txt
doc/Section_start.txt
src/citeme.cpp
src/citeme.h
src/lammps.cpp
src/neighbor.cpp
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2013-07-31 14:39:31 +02:00 |
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13b38d09e5
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test if I can commit
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10498 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-07-30 21:52:03 +00:00 |
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9550535392
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Merge remote branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
doc/Manual.txt
lib/cuda/Makefile.lammps
src/GPU/fix_gpu.cpp
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2013-07-27 12:34:08 +02:00 |
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b12b9fced9
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10409 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-07-26 15:38:06 +00:00 |
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2e722ce5df
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improvements to serialization/deserialization feature
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2013-05-24 15:14:38 +02:00 |
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8a912603a5
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
doc/Manual.txt
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2013-03-12 18:44:52 +01:00 |
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a920f23204
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9632 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-03-11 20:47:14 +00:00 |
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e1709a4489
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Merge branch 'master' into lammps-icms
Resolved Conflicts:
src/USER-OMP/msm_omp.cpp
src/USER-OMP/msm_omp.h
src/USER-OMP/pair_born_coul_msm_omp.cpp
src/USER-OMP/pair_born_coul_msm_omp.h
src/USER-OMP/pair_buck_coul_msm_omp.cpp
src/USER-OMP/pair_buck_coul_msm_omp.h
src/USER-OMP/pair_coul_msm_omp.cpp
src/USER-OMP/pair_coul_msm_omp.h
src/USER-OMP/pair_lj_charmm_coul_msm_omp.cpp
src/USER-OMP/pair_lj_charmm_coul_msm_omp.h
src/USER-OMP/pair_lj_cut_coul_msm_omp.cpp
src/USER-OMP/pair_lj_cut_coul_msm_omp.h
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2013-01-18 07:50:51 -05:00 |
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87f2415519
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9278 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-01-17 15:52:46 +00:00 |
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f51ad982f6
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9277 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-01-17 15:51:57 +00:00 |
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427161ef56
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Merge branch 'master' into lammps-icms
Resolved Conflicts:
src/MAKE/Makefile.openmpi
src/min_linesearch.cpp
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2013-01-09 07:09:35 -05:00 |
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772e83406d
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9204 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-01-03 16:22:36 +00:00 |
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a69bbed0b7
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9184 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-01-02 16:48:13 +00:00 |
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399871b63a
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Merge branch 'master' into lammps-icms
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2012-10-27 15:30:19 -04:00 |
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fbc3f58a05
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9027 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-10-26 23:31:09 +00:00 |
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95f350087c
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Merge branch 'master' into lammps-icms
Resolved Conflicts:
doc/Section_packages.html
doc/Section_packages.txt
doc/dump_modify.txt
doc/fix_colvars.html
doc/fix_colvars.txt
src/Make.sh
src/Makefile
src/USER-COLVARS/colvarproxy_lammps.cpp
src/dump_xyz.cpp
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2012-05-24 09:03:58 -04:00 |
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44904c5bf3
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8163 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-05-23 16:20:25 +00:00 |
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e0d696f14d
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update colvars test examples
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2012-05-22 20:00:13 -04:00 |
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9976610faa
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expand test
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2012-04-23 13:54:40 -04:00 |
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8a744d26dc
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update examples. no need for "auto" in fix spring.
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2012-03-17 13:08:28 -04:00 |
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f727b47017
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update simple colvars example and compare to spring
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2012-03-16 22:23:20 -04:00 |
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0e33af4f94
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delete test input
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2012-03-12 23:19:41 -04:00 |
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6456a5cb2d
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colvars now working correctly in parallel
atom->map() didn't quite behave as expected.
need to restrict the result to local atoms.
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2012-03-12 22:52:59 -04:00 |
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82a43ae078
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first fully working version of the colvars module
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2012-03-07 21:06:27 -05:00 |
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3a98d5829e
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added colvars test example
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2012-03-05 21:52:52 -05:00 |
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4f1bc1a2da
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documentation updates
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2012-01-07 12:01:15 -05:00 |
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0af770b923
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7432 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-01-06 17:34:26 +00:00 |
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479db22978
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update and remove crud.
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2012-01-05 14:41:52 -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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70a85bddfd
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7256 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-12-01 14:58:11 +00:00 |
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91f4940250
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6836 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-08-27 20:08:16 +00:00 |
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a2ea5509ff
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6616 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-08-08 19:01:31 +00:00 |
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