Commit Graph

118 Commits

Author SHA1 Message Date
354ee97d35 Added fix gcmc check to init()
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13814 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-08-01 23:04:25 +00:00
e52b320061 Enabled Coulombic pair styles without energy_full
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13542 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-07-08 04:06:03 +00:00
c368b5f988 Added protection against using charges without full_energy
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13538 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-07-07 23:50:37 +00:00
8749c91a3c Changed algorithm for generating rotation axis
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13536 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-07-07 18:41:54 +00:00
f03b5a8036 Fixed problem with image flags in attempt_molecule_insertion_full() and cleaned things up a little.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13535 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-07-07 16:43:21 +00:00
d9be5d7d63 Switched some inside() checks to inside_nonperiodic() checks
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13481 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-05-18 21:06:56 +00:00
aef75ace77 Added inside box check for fix_gcmc moves
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13476 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-05-15 22:41:51 +00:00
d2f90c7e0c Added intra_energy keyword
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13459 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-05-11 23:16:44 +00:00
720490cfa4 Added group keywords to fix gcmc, fixed destructor
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13457 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-05-11 22:16:34 +00:00
0c0441b870 Added group keywords to fix gcmc
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13455 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-05-08 19:59:58 +00:00
5779fc4097 Added group keywords to fix gcmc
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13453 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-05-08 17:21:20 +00:00
73a87e7923 Added group keywords to fix gcmc
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13452 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-05-08 15:55:29 +00:00
1f6a1f4ad4 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13298 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-03-25 19:00:59 +00:00
f07750fa88 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13291 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-03-25 16:08:04 +00:00
a71d94841a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13276 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-03-23 18:04:12 +00:00
00834f6d84 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13127 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-02-19 18:23:31 +00:00
4682db87f2 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13097 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-02-13 16:15:58 +00:00
fd89b16663 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13076 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-02-06 20:55:22 +00:00
232f1b3880 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13024 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-02-03 16:37:54 +00:00
1ce6e5b361 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13006 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-01-29 23:40:00 +00:00
a18137eb74 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13004 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-01-29 18:06:53 +00:00
e7a157c400 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13002 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-01-29 17:29:52 +00:00
53b2a08d9c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13000 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-01-29 16:44:07 +00:00
86daf16069 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12996 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-01-28 15:55:56 +00:00
05a0275791 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12986 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-01-23 17:28:13 +00:00
6efe4bc1a2 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12626 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-10-09 17:28:04 +00:00
7e875a1ef3 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12177 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-07-10 19:38:32 +00:00
33186b6ad4 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12176 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-07-10 17:25:44 +00:00
a5856e9d3e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12162 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-06-27 23:46:07 +00:00
8bee4ef596 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11907 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-05-02 21:49:36 +00:00
1e40c52c97 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11849 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-04-30 15:17:50 +00:00
257f5b6c2d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11818 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-04-18 13:57:58 +00:00
30b091db28 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11475 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-02-04 22:24:04 +00:00
a18390d61e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11358 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-01-28 22:19:23 +00:00
0ce16af78b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11328 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-01-25 22:46:08 +00:00
127eb167c1 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11293 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-01-22 17:44:32 +00:00
bad19033d0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11250 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-01-17 18:43:09 +00:00
a1ef01fc1a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11243 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-01-14 16:17:20 +00:00
4f40cb9dec git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11149 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-01-07 16:22:29 +00:00
b13218e58a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11136 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-12-24 17:46:29 +00:00
8e179220ec git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11115 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-12-17 00:22:16 +00:00
f37ae6cb74 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10161 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-06-28 19:06:37 +00:00
9c29bb4224 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9805 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-05-03 22:53:32 +00:00
44e5b9d4ff git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9803 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-04-29 22:44:06 +00:00
a741fcf859 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9771 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-04-11 23:20:40 +00:00
d2d9494a1c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9770 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-04-11 22:09:34 +00:00
dcd49dac4f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9767 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-04-09 20:04:18 +00:00
87023e98bb git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9717 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-03-27 22:35:13 +00:00
836502a357 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9716 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-03-27 22:16:34 +00:00
0a97cb8e9a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9694 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-03-15 00:14:36 +00:00