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6303826d29
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Merge remote branch 'lammps-ro/master' into lammps-icms
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2016-01-29 13:59:06 +01:00 |
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cf77d882eb
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Adding error checks for Kokkos-incompatible features
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14517 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-01-28 23:32:16 +00:00 |
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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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dfa33f258a
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consolidate minimizer stop condition constants into min.h header and support timeout timer
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2015-10-25 12:10:15 -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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09aa1365cc
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undo timelimit code in minimizers
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2015-10-24 01:01:24 -04:00 |
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3108093416
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fix logic bug in allowed numbers of arguments
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2015-10-09 12:20:15 -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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56ee1b670b
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14088 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-10-05 15:13:56 +00:00 |
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e837249c11
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handle several large integer issues.
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2015-09-25 12:46:17 -04:00 |
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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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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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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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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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eaf9944f4b
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update to dec 4 patch ahead of git update.
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2011-12-02 21:20:05 -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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3a720230d9
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5724 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-02-23 15:25:00 +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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f97280116a
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4915 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2010-09-30 22:28:15 +00:00 |
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b3132ab259
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2010-06-02 15:41:31 +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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f785919592
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3114 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2009-08-18 21:52:42 +00:00 |
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464bdb0bf5
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3101 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2009-08-18 17:59:28 +00:00 |
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33ff40dd7e
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3074 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2009-08-14 20:54:10 +00:00 |
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b1181dd900
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1743 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2008-04-14 20:50:48 +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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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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222c95507e
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@26 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2006-09-27 19:51:33 +00:00 |
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