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1e9a4cc4b8
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
# Resolved Conflicts:
# doc/Manual.html
# doc/Manual.txt
# src/REAX/fix_reax_bonds.cpp
# src/REAX/fix_reax_bonds.h
# src/REAX/pair_reax.cpp
# src/USER-MGPT/pair_mgpt.cpp
# src/USER-SMTBQ/pair_smtbq.cpp
# src/lammps.cpp
# src/timer.cpp
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2015-10-31 10:54:08 -04:00 |
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354e20f431
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-10-30 20:04:06 +00:00 |
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20b9fec39b
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add missing timeout re-init during "every" runs
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2015-10-25 18:14:01 -04:00 |
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0e2132e1f6
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using run_style respa with run pre no segfaults
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2015-10-25 17:27:26 -04:00 |
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704936880c
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consolidate timeout initialization into run/minimize commands
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2015-10-25 11:06:12 -04:00 |
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9be09f5ddf
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reimplement wallclock timeout in timer class instead of update.
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2015-10-24 22:15:10 -04:00 |
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d18d5c1434
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implement a wall time limit similar to HOOMD
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2015-10-08 18:51:44 -04:00 |
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047be536bc
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13983 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-09-02 20:39:55 +00:00 |
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ce59e32d1c
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13937 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-08-28 20:00:56 +00:00 |
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361b2e0e35
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make checks for illegal run arguments safer and remove useless tests
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2015-08-27 09:42:45 -04:00 |
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e59417b0f7
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12979 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-01-20 23:25:40 +00:00 |
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b270116a19
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use force->bnumeric() where it makes sense
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2015-01-20 14:27:52 -05:00 |
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619ccc1825
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add checks on integer arguments
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2015-01-13 22:48:00 -05:00 |
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5618830283
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Merge remote branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
doc/Manual.html
doc/Manual.txt
src/finish.cpp
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2014-04-02 15:00:49 +02:00 |
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bd537e077e
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11676 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-04-01 22:21:39 +00:00 |
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ab8c4854ba
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make the timer code handle the various flags as expected
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2013-07-26 16:51:43 +02:00 |
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a00c94fa29
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rename LOOP timer to TOTAL and implement timers command
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2013-07-25 11:51:54 +02:00 |
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b0007d45b7
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10199 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-06-29 21:27:42 +00:00 |
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0e04550043
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massive patch to flag non-numeric input
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2013-06-23 14:34:38 +02:00 |
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1f9f369657
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Merge branch 'master' into lammps-icms
Resolved Conflicts:
src/rerun.cpp
src/run.cpp
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2012-06-09 12:27:33 -04:00 |
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7a2e00bbf1
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8242 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-06-08 16:00:32 +00:00 |
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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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a1209775b4
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8228 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-06-06 23:56:25 +00:00 |
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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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90ce52e383
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Merge branch 'master' into lammps-icms
Resolved Conflicts:
doc/kspace_style.html
doc/kspace_style.txt
src/USER-EWALDN/ewald_n.h
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2012-02-29 10:29:35 -05:00 |
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3450c008aa
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7850 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-02-28 17:29:18 +00:00 |
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52568d2738
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7849 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-02-28 17:19:20 +00:00 |
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16a2afc642
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7310 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-12-08 17:56:37 +00:00 |
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a362ece3e7
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fix timer->init() bug
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2011-12-02 12:09:48 -05:00 |
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1109a4ec5e
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fix bug in timer initialization
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2011-11-07 18:01:57 -05:00 |
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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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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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aedbb28b6c
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6486 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-06-30 20:10:18 +00:00 |
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d51c47d9ab
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5705 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-02-22 22:09:18 +00:00 |
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60b4b9eaa7
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5526 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-01-11 16:27:24 +00:00 |
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7a5cf1480a
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4188 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2010-05-21 20:05:47 +00:00 |
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46a7dc9db8
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3734 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2010-01-20 15:12:36 +00:00 |
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fae7fd7621
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3730 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2010-01-19 17:56:46 +00:00 |
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c01b4e016c
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3117 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2009-08-21 19:05:42 +00:00 |
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a1e6b4fcdd
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3089 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2009-08-18 17:54:45 +00:00 |
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e0665d834a
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2693 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2009-03-20 15:01:17 +00:00 |
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25baa261e9
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2364 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2009-01-09 21:31:31 +00:00 |
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b2e9f7dc10
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1272 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2008-01-02 19:24:46 +00:00 |
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db10083b17
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1250 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2007-12-13 15:00:28 +00:00 |
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6de4e59a38
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1119 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2007-11-02 20:25:11 +00:00 |
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67fcb1a3bd
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@684 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2007-06-27 16:45:46 +00:00 |
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8d2d6b68a3
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@510 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2007-04-20 22:53:15 +00:00 |
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209f169cbc
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@254 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2007-01-30 00:22:05 +00:00 |
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8e8f2616f8
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@141 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2006-11-10 23:01:59 +00:00 |
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