Commit Graph

47 Commits

Author SHA1 Message Date
48aa45f7f0 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
2012-06-07 16:42:38 -04:00
ef9e700545 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8226 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-06-06 22:47:51 +00:00
eaf9944f4b update to dec 4 patch ahead of git update. 2011-12-02 21:20:05 -05:00
ccd5c7b9a1 revert to using preprocessor macros for MIN/MAX,
since the templated inline functions create problems
with intel compilers
2011-11-14 17:55:02 -05:00
9275135c82 make MIN/MAX templates instead of macros. 2011-09-30 10:37:39 -04:00
78b0055319 Merge branch 'ak-fix' into openmp-step2
Resolved Conflicts:
	src/COLLOID/pair_colloid.cpp
	src/pair_table.cpp
2011-09-24 13:55:42 -04:00
19e8c92a90 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7003 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-09-23 18:06:55 +00:00
488eca7165 implemented improved timer class 2011-08-26 18:39:14 -04:00
d51c47d9ab git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5705 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-02-22 22:09:18 +00:00
01db59bea3 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5498 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-01-06 23:23:37 +00:00
d5aa03447b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5457 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-01-04 19:12:58 +00:00
b3132ab259 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4220 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-06-02 15:41:31 +00:00
7a5cf1480a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4188 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-05-21 20:05:47 +00:00
33ff40dd7e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3074 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-08-14 20:54:10 +00:00
90dacbb8a5 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2717 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-04-03 19:46:03 +00:00
e0665d834a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2693 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-03-20 15:01:17 +00:00
dc80368475 Added check to prevent uphill moves in quadratic model, tweaked
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2692 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-03-19 22:17:39 +00:00
f85c3c05b8 Added check to prevent uphill moves in quadratic model
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2691 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-03-19 20:59:09 +00:00
cb90e03944 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2622 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-03-05 20:49:19 +00:00
6da13380d3 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2607 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-02-27 21:23:34 +00:00
6fc365dbc5 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2603 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-02-25 23:58:04 +00:00
0cc1d090f4 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2330 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-01-05 22:26:08 +00:00
cb7168f9d3 Change etol criterion to be strictly less than
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2255 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2008-11-25 03:33:32 +00:00
0558f0c7f0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2254 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2008-11-24 16:01:06 +00:00
19e8e1f319 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2252 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2008-11-24 15:02:29 +00:00
fb0c73f59d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2251 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2008-11-21 22:59:10 +00:00
2470451226 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2223 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2008-11-06 15:17:59 +00:00
dc41c79c3c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1823 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2008-05-15 22:42:47 +00:00
2573af1531 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1758 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2008-04-17 00:06:14 +00:00
8a08b7f3da git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1751 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2008-04-15 21:43:15 +00:00
89bddb0624 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1746 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2008-04-14 22:13:25 +00:00
b1181dd900 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1743 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2008-04-14 20:50:48 +00:00
943216c548 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1732 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2008-04-10 20:53:37 +00:00
b2b8adfae9 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1360 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2008-01-09 21:56:57 +00:00
b2e9f7dc10 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1272 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2008-01-02 19:24:46 +00:00
0bb3fd9b06 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1217 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-12-05 20:57:47 +00:00
8fb52958ce git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1193 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-11-30 21:54:30 +00:00
6de4e59a38 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1119 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-11-02 20:25:11 +00:00
9be7620ace git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@937 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-10-03 16:22:30 +00:00
4d9c927e4a ++
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@535 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2007-04-24 17:14:38 +00:00
a59770e6ce git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@488 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-04-19 14:58:01 +00:00
dfad2a399c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@332 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-02-21 22:21:06 +00:00
1445a6d536 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@331 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-02-21 20:57:31 +00:00
142d115d31 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@311 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-02-16 14:50:22 +00:00
209f169cbc git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@254 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-01-30 00:22:05 +00:00
9c95030827 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@216 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-01-12 16:00:28 +00:00
222c95507e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@26 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2006-09-27 19:51:33 +00:00