a066cbb210
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
...
# Resolved Conflicts:
# doc/Manual.txt
2016-01-15 08:18:31 -05:00
7e1972ef8b
add message about changes
2016-01-14 22:41:05 -05:00
a1e6d7d24f
add a warning, if parameters for nonbonded are missing.
2016-01-14 22:33:27 -05:00
6191b6515e
delete pair_style line/lj/omp in anticipation of it being broken with the next update
2016-01-14 22:16:08 -05:00
ba87515112
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14444 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-15 00:35:21 +00:00
51a2504a01
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14443 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-15 00:34:30 +00:00
3e36b2b16b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14442 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-15 00:28:30 +00:00
dc40129746
support marker IMPROPERS in addition to IMPROPER
...
CGenFF/Charmm-GUI generated parameter files and other recent CHARMM parameter files seem to be using the marker IMPROPERS instead of IMPROPER. with this change, both are recognized and translated to the same number (4).
2016-01-14 19:20:59 -05:00
5bba67f290
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14441 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-14 22:35:15 +00:00
09fb68df71
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14440 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-14 22:33:46 +00:00
7770aa6200
correct logic for assigning molecule ids
2016-01-13 06:18:33 -05:00
4be9cd4bee
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
...
# Resolved Conflicts:
# doc/Manual.txt
2016-01-13 06:17:50 -05:00
cd1f4ae7f0
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14438 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-12 22:29:26 +00:00
7bd6ae2d6a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14437 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-12 22:28:35 +00:00
843814f7a3
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14436 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-12 22:25:33 +00:00
9dcf6ee717
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14435 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-12 22:25:10 +00:00
a34b9f17da
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14433 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-12 16:48:49 +00:00
dc385fcbd1
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14432 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-12 16:47:56 +00:00
395397d30b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14431 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-12 16:34:59 +00:00
2520edf91e
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14430 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-12 16:27:53 +00:00
b9ab7a0cd5
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14429 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-12 16:27:19 +00:00
fbd03b390f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14428 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-12 16:24:33 +00:00
607c4aa2a3
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
...
# Resolved Conflicts:
# doc/Manual.html
# doc/Manual.txt
# src/USER-SMTBQ/pair_smtbq.cpp
2016-01-12 07:02:29 -05:00
05240f9467
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14427 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-12 00:43:44 +00:00
0da05dcdf4
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14426 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-12 00:29:49 +00:00
20cc9e51cd
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14425 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-12 00:13:11 +00:00
4e199dd5bd
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14424 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-12 00:12:15 +00:00
12c8aaf29d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14423 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-11 23:38:16 +00:00
681ebfaf8f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14422 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-11 23:34:59 +00:00
e72cef0c3a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14421 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-11 22:00:29 +00:00
e24ed78dd1
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14420 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-11 22:00:15 +00:00
d3f534f5cc
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14419 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-11 22:00:09 +00:00
f5946c73f7
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14418 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-11 22:00:04 +00:00
7ae65d4dcf
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14417 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-11 22:00:02 +00:00
b5086e3d69
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14416 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-11 21:59:49 +00:00
173d4861a2
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14415 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-11 21:59:38 +00:00
9e4140c954
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14413 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-11 18:57:20 +00:00
eb20bcf183
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14412 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-11 18:56:25 +00:00
eb063200bf
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14411 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-11 17:59:15 +00:00
e86cfe431a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14410 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-11 17:58:37 +00:00
51745e2c95
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14409 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-11 16:01:39 +00:00
f5cf3008dd
added new (fast/small) test example for PCFF with ignore flag set
2016-01-03 16:21:34 -05:00
7550656ce7
add update dipole flag to nose-hoover integrator for extended particles
2015-12-31 11:57:15 -05:00
b62c955bed
incorporate fix for segfault by andrew jewett from lammps-users
2015-12-29 19:07:14 -05:00
52312fdca4
run through cleanup script to fix includes and whitespace
2015-12-24 07:48:29 -05:00
47e8ef8cc7
restore bugfix
2015-12-24 07:47:29 -05:00
b921253f3f
fix typo
2015-12-24 07:47:18 -05:00
5e8d04a07f
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
...
# Resolved Conflicts:
# doc/Manual.txt
2015-12-24 07:44:16 -05:00
06e04df4e3
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14406 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-12-24 00:03:25 +00:00
41a026ee14
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14405 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-12-24 00:02:10 +00:00
