Commit Graph

597 Commits

Author SHA1 Message Date
ac19c2ea2e Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
	doc/Manual.html
	doc/Manual.txt
	src/USER-CUDA/pppm_cuda.cpp
2015-01-21 11:14:31 -05:00
b3a0ee76a0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12972 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-01-20 22:45:03 +00:00
c5ea04961d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12971 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-01-20 22:38:29 +00:00
fc6be0ef34 Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
	doc/Manual.html
	doc/Manual.txt
	src/USER-OMP/fix_rigid_nh_omp.cpp
2015-01-12 10:02:37 -05:00
e5ed30891c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12916 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-01-09 16:14:28 +00:00
74ba3d3095 Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
	doc/Manual.html
	doc/Manual.txt
2014-12-01 11:27:44 -05:00
6d4200ec45 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12800 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-11-26 16:05:29 +00:00
1bfeda4e3e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12799 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-11-26 16:04:35 +00:00
475aa20270 Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
	doc/Manual.html
	doc/Manual.txt
	doc/Section_intro.txt
	doc/fix_gle.txt
	doc/fix_ipi.txt
	examples/USER/i-pi/README
	src/USER-MISC/README
	src/USER-MISC/fix_gle.cpp
	src/USER-MISC/fix_ipi.cpp
	src/USER-MISC/fix_ipi.h
2014-11-25 15:01:31 -05:00
6f94c97e48 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12786 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-11-24 19:52:27 +00:00
223eea1510 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12784 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-11-24 19:38:27 +00:00
a52ad2d6dd git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12772 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-11-24 17:14:39 +00:00
72bf576c1a Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
	doc/Manual.html
	doc/Manual.txt
	src/compute_force_molecule.cpp
2014-11-21 10:05:55 -05:00
d845ef5e8f ATC version 2.0, date: Nov20
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12758 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-11-20 18:59:07 +00:00
7d179faa17 update colvars example outputs 2014-11-06 16:46:41 -05:00
8014e5cf0d Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
	doc/Manual.html
	doc/Manual.txt
2014-11-06 11:03:09 -05:00
79034a7dcf git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12682 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-11-05 21:37:16 +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
4a07b74790 Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
	doc/Manual.html
	doc/Manual.txt
	src/USER-REAXC/reaxc_init_md.cpp
	src/fix_recenter.cpp
	src/neighbor.cpp
2014-10-31 09:16:10 -04:00
d291f079d5 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12668 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-10-30 16:12:28 +00:00
bdffea2ea7 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12667 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-10-30 16:11:27 +00:00
aa9c30ae99 update reference log file for colvars examples 2014-10-29 18:35:52 -04:00
fa9c01c701 include histogram output in metadynamics example 2014-10-27 14:53:55 -04:00
c841d1dcb0 update colvars reference log files with current LAMMPS/colvars version 2014-10-26 04:46:59 -04:00
a8a95efae3 simple input examples for testing more colvars use cases for syntax and files generated 2014-10-25 16:36:18 +02:00
a05fa107d8 Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
	doc/Manual.html
	doc/Manual.txt
	lib/cuda/Makefile.defaults
	lib/cuda/Makefile.lammps
	lib/cuda/pair_cg_cmm_coul_cut_cuda.cu
	lib/cuda/pair_cg_cmm_coul_debye_cuda.cu
	lib/cuda/pair_cg_cmm_coul_long_cuda.cu
	lib/cuda/pair_cg_cmm_cuda.cu
	lib/cuda/pair_cg_cmm_cuda_kernel_nc.cu
	src/USER-FEP/fix_adapt_fep.cpp
	src/molecule.cpp
2014-10-09 13:03:12 -04:00
bd26134155 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12605 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-10-07 17:30:37 +00:00
5be413fc73 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12602 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-10-07 16:58:16 +00:00
6b7d937194 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12601 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-10-07 16:52:39 +00:00
6bea73f245 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12600 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-10-07 15:34:26 +00:00
6ba871c80f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12599 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-10-07 15:34:03 +00:00
c5ad12114d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12598 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-10-07 15:33:32 +00:00
69f2390b06 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12596 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-10-07 15:24:30 +00:00
9dd1fd29b2 Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
	src/MAKE/MORE/Makefile.debug
	src/MAKE/MORE/Makefile.openmpi
	src/MAKE/MORE/Makefile.serial
	src/MAKE/MORE/Makefile.ubuntu_simple
	src/MAKE/Makefile.g++
	src/MAKE/Makefile.serial-opt
2014-09-27 06:34:33 -04:00
bf8b5e4d63 Fixing broken basal example
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12562 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-09-26 17:00:51 +00:00
62c95d86a8 Fixing broken USER-EFF example
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12560 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-09-26 14:57:08 +00:00
190974a167 Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
	src/MAKE/MORE/Makefile.jaguar
	src/MAKE/Makefile.jaguar
	src/MAKE/Makefile.serial-clang
2014-09-25 11:23:12 -04:00
fb705efa84 Change fix box/relax example to be more efficient
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12532 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-09-24 00:46:11 +00:00
5ae8de8f47 Fixing broken USER-INTEL examples
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12524 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-09-22 15:39:09 +00:00
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
dbb4fd7e75 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12520 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-09-18 14:39:58 +00:00
e162a292b6 Merge remote branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
	doc/Manual.html
	doc/Manual.txt
	lib/cuda/Makefile.defaults
2014-09-12 13:07:05 +02:00
5910f51031 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12497 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-09-11 20:24:23 +00:00
4a95b00477 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12496 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-09-11 16:58:10 +00:00
bbc60e3aef git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12494 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-09-11 16:54:18 +00:00
3564238044 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12493 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-09-11 16:54:14 +00:00
978269a4ce git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12492 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-09-11 16:47:30 +00:00
010542ff05 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12491 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-09-11 16:39:58 +00:00
052a84f81d Merge remote branch 'lammps-ro/master' into lammps-icms
Resovled Conflicts:
	src/lammps.cpp
2014-09-11 13:44:35 +02:00
b73b7a8253 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12476 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-09-10 21:05:43 +00:00