Commit Graph

9534 Commits

Author SHA1 Message Date
9eeb694432 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8094 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-18 22:03:32 +00:00
8487639210 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8090 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-18 16:35:33 +00:00
e8308edb15 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8088 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-18 16:35:19 +00:00
173c6e393d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8087 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-17 23:58:52 +00:00
f3ec23a220 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8085 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-17 23:50:23 +00:00
a930905787 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8084 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-17 23:47:57 +00:00
2e1873a20b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8082 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-17 22:32:55 +00:00
393889548e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8079 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-17 22:25:39 +00:00
ccf0f9a1ac git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8078 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-17 21:40:06 +00:00
2e841e3441 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8076 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-17 21:20:27 +00:00
a729b8d46f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8075 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-17 21:08:55 +00:00
967a143e7e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8074 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-17 21:06:43 +00:00
56933a0bd1 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8070 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-17 17:49:21 +00:00
0f3c9e1e3d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8069 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-17 17:40:45 +00:00
84a7941c3e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8068 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-17 17:10:36 +00:00
09740d261b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8067 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-17 17:05:05 +00:00
8fb0508d38 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8066 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-17 16:48:31 +00:00
aca77bd76f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8065 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-17 16:46:42 +00:00
8af67f39d0 Added ev_unset() function
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8059 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-05-14 22:10:30 +00:00
4fa500cc11 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8057 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-14 15:52:26 +00:00
b1284262b8 Fixed problem with cutof3
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8054 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-05-08 19:13:55 +00:00
3eb62a4c5a Added fix reax/c/bonds
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8053 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-05-08 15:52:50 +00:00
76b4aec8e5 Fixed reax per-atom energy and virial at periodic boundary
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8050 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-05-07 20:33:25 +00:00
819fcd6bb8 Added space to FullNghs output
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8049 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-05-07 20:26:11 +00:00
9d3bba4ca8 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8047 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-04 21:39:29 +00:00
7b87c4f3f5 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8045 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-04 21:19:57 +00:00
8e34d4b27a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8044 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-04 19:31:50 +00:00
a0fae3372b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8043 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-04 19:29:56 +00:00
3191fb7c87 Adding a differentiation flag option to allow users to select analytic differentiation for PPPM.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8041 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-05-03 15:30:26 +00:00
509f60f81f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8038 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-03 15:02:26 +00:00
2e1b7a0f0e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8037 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-03 14:58:24 +00:00
301022e272 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8036 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-03 14:57:51 +00:00
21f4d93ebd git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8031 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-04-20 14:56:12 +00:00
0b0d59a71f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8030 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-04-20 14:55:44 +00:00
e84f267315 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8029 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-04-20 14:50:57 +00:00
f5d412e27d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8025 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-04-19 19:27:16 +00:00
8bad8adf6b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8024 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-04-19 19:23:45 +00:00
ddf50304d2 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8023 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-04-19 19:22:28 +00:00
4d4885b314 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8020 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-04-19 18:53:35 +00:00
e0198e0247 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8019 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-04-19 18:51:49 +00:00
95970d4dce git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8017 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-04-12 22:36:14 +00:00
e4974ae9af git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8016 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-04-12 22:32:17 +00:00
41f90e6a0e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8014 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-04-11 16:45:12 +00:00
20ca0b2bce git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8010 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-04-10 15:10:53 +00:00
8e84840556 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8009 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-04-10 15:05:07 +00:00
fb1c3d6019 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8008 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-04-10 15:02:16 +00:00
9ce85e0c9a Added option to set fixed point for volume dilation
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8005 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-04-10 01:03:30 +00:00
2506f71469 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8000 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-03-29 23:37:56 +00:00
53f2c13d52 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7995 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-03-28 22:16:46 +00:00
d8a6e13eb3 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7991 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-03-28 22:12:58 +00:00