Commit Graph

7194 Commits

Author SHA1 Message Date
1be31f63ce Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 2014-08-05 09:04:43 -04:00
57b8a339eb clean up reading of C matrix and fix missing scaling bug 2014-08-05 01:51:31 -04:00
8821eb0518 cleaned up code some. doesn't seem to fully work yet. 2014-08-05 01:14:23 -04:00
2056624858 remove trailing whitespace 2014-08-04 22:23:31 -04:00
5e98c4a3e6 some simple cleanup and correction to C++ style and syntax 2014-08-04 22:21:41 -04:00
ff39614926 import updated GLE fix from michele ceriotti 2014-08-04 22:17:04 -04:00
f5fa324eb6 Merge branch 'lammps-icms' into cle-orig 2014-08-04 21:39:35 -04:00
cbed68e0e6 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12249 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-08-04 23:51:41 +00:00
3a6c9b21e5 properly account for added topology data 2014-08-04 17:51:29 -04:00
526bddbf2b give visual feedback for molecule properties with molecule command 2014-08-04 17:35:43 -04:00
006f747f27 remove redundant TIP4P check and signal if TIP4P is used PPPM 2014-08-04 17:35:10 -04:00
c46d3db5b8 Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
	doc/Manual.html
	doc/Manual.txt
	src/KSPACE/pair_lj_cut_tip4p_long.cpp
2014-08-04 14:44:45 -04:00
664c2b605b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12246 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-08-01 23:40:51 +00:00
a12cc9cce8 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12245 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-08-01 23:40:44 +00:00
4f945993d5 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12243 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-08-01 23:14:00 +00:00
0ee504a737 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12242 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-08-01 22:13:52 +00:00
b7814379a5 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12241 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-08-01 21:23:36 +00:00
4fbebcc31d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12240 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-08-01 21:06:10 +00:00
5ac9e9a785 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12239 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-08-01 19:15:50 +00:00
df5c028ad4 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12238 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-08-01 14:42:32 +00:00
3dace181b7 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12237 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-08-01 14:42:16 +00:00
8b6dd56190 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12235 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-07-31 21:39:36 +00:00
ce0827c3d9 correct logic bug in pppm+tip4p pair style settings 2014-07-31 15:03:14 -04:00
f3a3c61506 Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 2014-07-31 11:07:15 -04:00
b95497e8a9 Merge branch 'lammps-icms' into cle-orig 2014-07-30 15:02:14 -04:00
e8dd5814f3 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12233 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-07-30 17:37:50 +00:00
fe1ade5fad git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12231 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-07-30 14:59:20 +00:00
f4fe83b3ba Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
	src/STUBS/mpi.c
2014-07-30 10:49:57 -04:00
f6c15d997d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12230 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-07-30 14:40:37 +00:00
24c9982406 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12229 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-07-30 14:30:42 +00:00
c5b40aaa90 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12228 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-07-29 23:29:20 +00:00
842ba3a22b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12227 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-07-29 23:29:10 +00:00
e1adfe9db5 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12225 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-07-29 23:27:01 +00:00
22cecea979 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12224 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-07-29 23:26:56 +00:00
8047d6058e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12223 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-07-29 21:46:50 +00:00
4666da3f48 anticipate changes from upstream to fix compilation error for MPI STUBS 2014-07-29 17:28:21 -04:00
e4abe8ee03 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12222 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-07-29 20:51:46 +00:00
526895f7ef fix issues flagged by compiler warnings. 2014-07-29 16:33:58 -04:00
909a9ff697 Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
	doc/Manual.html
	doc/Manual.txt
2014-07-29 15:13:15 -04:00
7cd0d58e85 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12221 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-07-29 15:29:09 +00:00
e4915201df git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12219 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-07-29 00:05:17 +00:00
3a8d10eb2f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12217 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-07-29 00:03:35 +00:00
2b9a3e8437 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12215 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-07-28 23:10:39 +00:00
d44b041d62 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12214 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-07-28 23:07:27 +00:00
33fe209a82 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12213 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-07-28 23:02:13 +00:00
7bce80b07e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12212 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-07-28 23:01:00 +00:00
0198cc71a9 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12211 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-07-28 23:00:22 +00:00
47de24ac4c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12210 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-07-28 22:48:38 +00:00
bab8ac74a0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12209 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-07-28 20:23:48 +00:00
65a76deb45 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12208 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-07-28 20:13:44 +00:00