Commit Graph

436 Commits

Author SHA1 Message Date
7b8a96ee8c Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 2016-06-01 06:35:25 -04:00
3c11e66b5a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15086 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-05-31 16:41:25 +00:00
04e401ae4b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15080 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-05-31 16:20:32 +00:00
10d332de00 per-atom memory allocation inconcistency correction that was overlooked 2016-05-18 16:22:32 -04:00
a7ce7207f9 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14874 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-04-26 18:27:44 +00:00
f70a764d5c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14860 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-04-22 15:55:54 +00:00
9c6c7b2d0c Fixed bugs in coul/long/gpu 2016-04-16 12:26:59 +07:00
1e180da830 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14806 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-04-07 21:05:09 +00:00
7910ec3297 update from trung with bugfixes for tersoff/sw and new tersoff/mod/gpu and tersoff/zbl/gpu 2016-03-28 06:47:38 -04:00
1d9d6f9241 Merge remote branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
	doc/Eqs/improper_dist-1.jpg
	doc/Eqs/pair_mdf-1.jpg
	doc/Eqs/pair_mdf-2.jpg
	doc/Eqs/pair_mdf-3.jpg
	doc/Eqs/pair_mdf-4.jpg
	doc/Eqs/pair_mdf-5.jpg
	doc/Eqs/pair_mdf-6.jpg
	doc/Manual.html
	doc/Manual.txt
	doc/Section_commands.txt
	doc/dump_custom_vtk.txt
	doc/fix.txt
	lib/vtk/Makefile.lammps
	python/lammps.py
	src/Makefile
	src/USER-COLVARS/ndx_group.cpp
	src/USER-VTK/dump_custom_vtk.h
2016-02-16 12:44:25 +01:00
70aa37e4c8 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14589 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-02-15 15:26:57 +00:00
6ed1f1df2f Merge remote branch 'lammps-ro/master' into lammps-icms
Conflicts:
	src/REAX/pair_reax.h
2016-02-09 13:56:32 +01:00
9e20448834 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14582 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-02-08 16:18:20 +00:00
77f8955d4e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14266 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-11-18 18:23:54 +00:00
8689bf35f9 incorporate GPU package update from Trung 2015-11-16 11:21:16 -05:00
1e9a4cc4b8 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
2015-10-31 10:54:08 -04:00
354e20f431 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-10-30 20:04:06 +00:00
53a8a038e8 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14061 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-09-24 20:24:27 +00:00
01bc05a7fc import proposed GPU bugfix from trung. 2015-09-15 11:40:36 -04:00
ce59e32d1c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13937 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-08-28 20:00:56 +00:00
01004c314a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13927 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-08-20 18:59:20 +00:00
c85a42ab6d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13905 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-08-19 15:11:20 +00:00
444e9f3db2 import GPU library update from Trung 2015-08-02 10:45:35 -04:00
c3fd41010d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13464 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-05-15 16:33:17 +00:00
4799e0c322 GPU update from trung 2015-03-27 12:24:55 -04:00
5f0a752513 Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 2015-03-25 06:26:42 -04:00
895cb00e98 Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
	src/fix_temp_csvr.cpp
	src/fix_temp_csvr.h
2015-03-24 14:15:41 -04:00
25b928b276 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13282 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-03-24 15:34:07 +00:00
84a5ec39ec git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-03-23 23:30:50 +00:00
8d532d93e9 Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
	doc/Manual.html
	doc/Manual.txt
	doc/fix_adapt.txt
	doc/fix_adapt_fep.txt
2015-01-20 07:09:33 -05:00
4a975dd8cf git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12957 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-01-19 23:49:20 +00:00
4957e4a147 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12951 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-01-19 22:15:30 +00:00
1eb5be1591 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12950 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-01-19 22:14:11 +00:00
64d34b65f7 Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
	lib/voronoi/Makefile.lammps
	lib/voronoi/README
	src/VORONOI/Install.sh
2015-01-09 14:59:49 -05:00
fa76884b09 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12897 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-01-08 18:16:47 +00:00
416f6c25e5 Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
	doc/Manual.html
	doc/Manual.txt
2014-11-18 10:26:44 -05:00
980ef37535 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12716 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-11-18 00:51:40 +00:00
21ac09ad9c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12715 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-11-18 00:17:02 +00:00
d586a4bbbb git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12678 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-11-05 16:35:50 +00:00
8e4bd5255a import bugfix from trung for computing per atom virial with pppm/gpu 2014-11-03 15:49:42 -05:00
711e9ea3a1 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12656 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-10-29 15:48:20 +00:00
2eb98b704b gpu library updates from trung 2014-10-24 06:32:18 -04:00
7518fae9bc git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-10-21 17:09:24 +00:00
35d8036e32 update C++ headers with emacs mode cookies 2014-10-21 12:00:34 -04:00
f350cc4ec7 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12637 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-10-20 21:17:46 +00:00
41fff308cc bugfix for FixGPU from trung 2014-10-13 17:35:24 -04:00
c316fb0984 use global constant for sqrt(pi) 2014-10-13 17:21:48 -04:00
635b5096dc adapt energy calculation for pppm/gpu to dynamic charges 2014-10-09 18:29:18 -04:00
3091e09e61 Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
	doc/Manual.html
	doc/Manual.txt
2014-09-20 13:20:27 -04:00
39373a22c3 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12513 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-09-18 14:24:18 +00:00