Commit Graph

73 Commits

Author SHA1 Message Date
cacf29bc56 update lammps python wrapper to support passing in a communicator from mpi4py 2015-12-07 20:59:20 -05:00
328f0070fe fix stupid typo 2015-11-11 18:33:25 -05:00
a7c5dfeefe correct memory leak and incorrect access to global vectors and arrays for fixes from python 2015-11-11 18:25:26 -05:00
233a9edfa8 expose numetical version id to library and python interface 2015-09-01 10:31:43 -04:00
5e2ecf7ec3 handle lammps python module instances with names correctly. 2015-07-10 17:37:21 -04:00
0449d00dca Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
# Conflicts:
#	doc/Manual.html
#	doc/Manual.txt
#	python/install.py
#	python/lammps.py
#	src/read_restart.cpp
#	src/write_restart.cpp
2015-07-03 07:37:10 -04:00
79e142b2ca git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13511 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-07-02 19:09:11 +00:00
d47d0de2b2 simpler way to determine the source file location 2015-06-29 23:12:20 -04:00
567d5a49cf find LAMMPS shared object location for ctypes loading from introspection 2015-06-29 15:02:37 -04:00
54233c58b1 Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
	doc/Manual.html
	doc/Manual.txt
2015-03-18 07:26:15 -04:00
fb2a894e03 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13236 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-03-17 16:02:06 +00:00
65f4f1e938 Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 2015-03-14 08:55:01 -04:00
6f706543fe git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13233 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-03-13 22:06:20 +00:00
1ed2f052c7 Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 2014-07-08 09:03:06 -04:00
3b9563910e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12173 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-07-07 19:19:55 +00:00
1ee7cb100d Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
	doc/Manual.html
	doc/Manual.txt
	src/atom_vec_hybrid.cpp
	src/verlet.cpp
2014-06-07 19:29:51 -04:00
87d0ff963b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12098 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-06-06 23:44:49 +00:00
d5a5342355 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12097 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-06-06 23:41:42 +00:00
46e8e6c120 Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
	doc/Manual.txt
	src/MAKE/Makefile.openmpi
	src/MANYBODY/fix_qeq_comb.cpp
	src/MANYBODY/pair_nb3b_harmonic.cpp
	src/RIGID/fix_rigid_small.cpp
	src/RIGID/fix_shake.cpp
	src/USER-REAXC/fix_qeq_reax.cpp
	src/USER-REAXC/fix_reaxc_bonds.cpp
	src/read_data.cpp
	src/special.h
2014-01-18 11:52:59 -05:00
f4a776d4c3 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11247 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-01-17 16:11:02 +00:00
44917aeac7 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10064 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-06-10 15:01:35 +00:00
d91cbdf923 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10063 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-06-10 15:01:13 +00:00
1f5dcb1ecf use more portable shebang line in python scripts 2013-06-09 19:57:02 +02:00
8a912603a5 Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
	doc/Manual.txt
2013-03-12 18:44:52 +01:00
3ba07ca1e6 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9641 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-03-11 21:37:15 +00:00
e5cc471307 Merge branch 'master' into lammps-icms 2012-11-26 08:47:57 -05:00
ed53c9d2d5 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9036 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-11-07 15:59:05 +00:00
5a75a6c827 Merge branch 'master' into lammps-icms
Resolved Conflicts:
	src/REPLICA/verlet_split.cpp
	src/USER-OMP/fix_omp.cpp
2012-10-26 09:50:01 -04:00
8663c92293 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9012 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-10-25 16:36:45 +00:00
13dd457ae7 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9001 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-10-25 15:23:26 +00:00
e2283d1609 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9000 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-10-25 15:21:37 +00:00
f865058700 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8999 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-10-25 15:21:33 +00:00
788b01cd71 Merge branch 'master' into lammps-icms 2012-08-18 17:17:35 -04:00
d4215d8844 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8675 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-16 21:16:03 +00:00
2e7bd3367f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8672 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-15 19:49:01 +00:00
4486372868 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8670 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-15 14:34:23 +00:00
ffc41c52c5 Merge branch 'master' into lammps-icms
Resolved Conflicts:
	lib/meam/Makefile.gfortran
	lib/poems/Makefile.g++
	lib/reax/Makefile.gfortran
	python/lammps.py
	src/USER-CUDA/cuda.cpp
2012-08-15 08:38:04 -04:00
6139908a11 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8664 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-14 23:08:53 +00:00
7487754a4d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8659 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-14 20:20:39 +00:00
7f5e8cb896 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8656 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-14 20:13:20 +00:00
1512b14f98 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8649 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-14 15:40:43 +00:00
01830d476b Merge branch 'master' into lammps-icms
Resolved Conflicts:
	python/lammps.py
	src/MAKE/Makefile.mingw
	src/MAKE/Makefile.openmpi
	src/MAKE/Makefile.serial
	src/MAKE/Makefile.serial_debug
	src/USER-CUDA/verlet_cuda.cpp
2012-08-14 03:35:29 -04:00
9bb3b04ec4 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8633 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-13 22:27:24 +00:00
8df0f9c2e6 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8631 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-13 22:13:23 +00:00
6f4f134d4d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8630 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-13 22:13:06 +00:00
0ea3d01f09 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8616 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-13 16:12:54 +00:00
ee7f12334d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8603 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-10 23:22:54 +00:00
c6878811f0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8602 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-10 23:13:26 +00:00
959946a023 import patch from joe jordan to find the lammps DSO automatically 2012-04-27 10:37:04 -04:00
00944a2b95 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7856 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-02-28 17:57:43 +00:00