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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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2a6b344897
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10713 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-09-04 17:03:05 +00:00 |
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93ddb4b0e8
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include proposed bugfix by rolf for per-atom computes with r-RESPA
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2013-08-30 16:24:44 +02:00 |
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dedb247fcd
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anticipate patches from upstream to 12 Aug 2013 version
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2013-07-30 10:12:29 +02:00 |
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a2367f3cba
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10466 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-07-29 17:32:29 +00:00 |
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bf68ab6e3b
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remove references to old-style citeme calls
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2013-07-27 11:56:14 +02:00 |
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e131e2a141
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make sure everything compiles again
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2013-07-26 09:09:08 +02:00 |
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873b9fe14d
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add first list of publications skimmed off the LAMMPS homepage
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2013-07-02 16:52:59 +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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5680a3f9bb
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
doc/Manual.txt
src/comm.cpp
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2013-05-24 15:24:12 +02:00 |
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e3b479a4cd
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9896 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-05-23 17:34:29 +00:00 |
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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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