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21e4a32e65
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Merge remote branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
doc/Manual.txt
doc/pair_coeff.txt
doc/pair_lj.txt
doc/pair_style.txt
src/respa.cpp
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2013-03-08 12:26:50 +01:00 |
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9f2a3147f1
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9605 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-03-07 17:33:09 +00:00 |
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91b7613960
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9604 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-03-07 17:32:03 +00:00 |
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3d25c94f33
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9603 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-03-07 17:24:33 +00:00 |
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e21af691be
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9600 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-03-07 15:38:26 +00:00 |
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18a04f2c5c
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9583 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-03-06 16:44:56 +00:00 |
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4ee921504e
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allow kspace to be run less frequently than outer pair
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2013-02-25 16:44:25 +01:00 |
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ceaebc68a8
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respa cannot handle 1 level. fix output of levels.
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2013-02-23 18:28:02 +01:00 |
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ba8c0bb5bc
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prepare to add support for respa/omp. compiles but non-functional
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2013-02-20 22:11:23 +01:00 |
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1d68769ded
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Merge branch 'master' into lammps-icms
Resolved Conflicts:
doc/Manual.txt
src/KSPACE/pair_buck_long_coul_long.cpp
src/USER-OMP/angle_fourier_omp.cpp
src/USER-OMP/angle_fourier_simple_omp.cpp
src/USER-OMP/angle_quartic_omp.cpp
src/USER-OMP/dihedral_fourier_omp.cpp
src/USER-OMP/dihedral_nharmonic_omp.cpp
src/USER-OMP/dihedral_quadratic_omp.cpp
src/USER-OMP/domain_omp.cpp
src/USER-OMP/fix_nh_asphere_omp.cpp
src/USER-OMP/fix_nh_omp.cpp
src/USER-OMP/fix_nh_sphere_omp.cpp
src/USER-OMP/fix_nve_omp.cpp
src/USER-OMP/fix_nvt_sllod_omp.cpp
src/USER-OMP/pair_dipole_sf_omp.cpp
src/USER-OMP/pair_hbond_dreiding_lj_omp.cpp
src/USER-OMP/pair_hbond_dreiding_morse_omp.cpp
src/math_special.h
src/neigh_bond.cpp
src/neighbor.h
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2013-02-09 13:21:53 +01:00 |
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7a286596d8
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9416 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-02-08 21:38:50 +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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da49b01f76
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9206 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-01-03 17:17:45 +00:00 |
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5f7cc52206
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Merge branch 'master' into lammps-icms
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2012-06-19 13:10:02 -04:00 |
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44a8e24e2a
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8313 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-06-19 00:00:13 +00:00 |
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bb48c5ccdc
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8312 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-06-18 23:49:36 +00:00 |
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a8af5ea42f
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8306 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-06-18 23:03:41 +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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20d00043b1
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Merge branch 'master' into lammps-icms
Resolved Conflicts:
src/Makefile
src/output.cpp
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2012-06-12 08:52:11 -04:00 |
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b1723e1714
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8256 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-06-11 21:51:59 +00:00 |
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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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978a0a8501
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Merge branch 'master' into lammps-icms
Resolved Conflicts:
src/min.cpp
src/verlet.cpp
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2012-04-13 08:56:42 -04:00 |
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e4974ae9af
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8016 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-04-12 22:32:17 +00:00 |
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66a6c37c99
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fix bug in memory clearing
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2011-12-03 00:14:03 -05:00 |
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3295bdbec0
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Merge branch 'openmp-next-merge' into openmp-master
Resolved Conflicts:
doc/fix_wall_reflect.txt
src/GPU/fix_gpu.cpp
src/USER-CUDA/verlet_cuda.cpp
src/min.cpp
src/neigh_full.cpp
src/neigh_request.cpp
src/respa.cpp
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2011-10-25 08:40:55 -04:00 |
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9c5ad7cf33
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Merge branch 'master' into openmp-next-merge
Resolved Conflicts:
doc/fix_wall_reflect.txt
src/GPU/fix_gpu.cpp
src/neigh_full.cpp
src/neigh_request.cpp
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2011-10-25 08:37:53 -04:00 |
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c6bbdcfbf2
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7184 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-10-24 20:28:02 +00:00 |
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aa5daaff35
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single out assorted bugfixes and changes that should
be sent to steve before the next big OpenMP update.
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2011-10-22 17:49:17 -04:00 |
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747ea72461
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force arrays and alike are cleared in parallel when the omp package command is active.
FixOMP does no longer need to be a friend.
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2011-10-12 22:20:00 -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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c5b95e57fc
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more infrastructure prep work for OpenMP styles
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2011-09-05 18:40:05 -04:00 |
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e1e087eeec
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Merge branch 'master' into openmp-step2
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2011-08-28 07:14:06 -04:00 |
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3179014485
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6835 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-08-27 20:01:42 +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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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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d13fee36fa
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5881 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-03-30 18:03:47 +00:00 |
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09c391fb2d
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5793 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-03-16 20:03:49 +00:00 |
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82ec94916d
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5520 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-01-11 00:41:00 +00:00 |
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6ec332feea
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5105 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2010-10-22 21:27:16 +00:00 |
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5810937ea9
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4685 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2010-09-03 23:12:51 +00:00 |
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a5f54fa1e2
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4589 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2010-08-25 17:03:55 +00:00 |
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ec22dce59b
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4552 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2010-08-20 21:03:54 +00:00 |
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92209c7adf
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4515 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2010-08-19 16:36:55 +00:00 |
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ff4be99542
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3924 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2010-03-25 16:24:30 +00:00 |
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f78f394d01
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3677 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2010-01-14 00:14:19 +00:00 |
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