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4916 Commits

Author SHA1 Message Date
sjplimp 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
sjplimp 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
sjplimp 3244bcbb98 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8073 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-17 20:55:41 +00:00
sjplimp bc4ad298fc git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8072 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-17 20:53:59 +00:00
sjplimp 69452129e4 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8071 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-17 19:36:30 +00:00
sjplimp 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
sjplimp 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
sjplimp 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
sjplimp 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
sjplimp 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
sjplimp 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
athomps 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
sjplimp 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
sjplimp ffa4ed0056 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8056 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-14 15:52:01 +00:00
sjplimp 49d037c648 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8055 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-14 15:31:12 +00:00
athomps 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
athomps 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
athomps ba52ecd66e Added fix reax/c/bonds 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8052 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2012-05-08 15:52:05 +00:00
athomps 585eaa3bee Added fix reax/c/bonds 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8051 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2012-05-08 15:49:51 +00:00
athomps 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
athomps 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
sjplimp 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
sjplimp 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
sjplimp 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
sjplimp 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
athomps 3f9f4ea43a Updated displace.mod 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8042 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2012-05-03 22:02:26 +00:00
pscrozi 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
pscrozi ea6d8cbe23 Adding kspace_modify diff option to select the PPPM differentiation method. 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8040 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2012-05-03 15:29:09 +00:00
sjplimp 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
sjplimp 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
sjplimp 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
sjplimp 3ddba002d4 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8033 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-01 18:59:21 +00:00
sjplimp 67de40462a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8032 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-04-26 00:04:44 +00:00
sjplimp 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
sjplimp 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
sjplimp 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
sjplimp 0534908c8a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8028 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-04-20 14:26:22 +00:00
sjplimp 0a85b18a46 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8027 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-04-19 19:30:59 +00:00
sjplimp 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
sjplimp 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
sjplimp 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
sjplimp 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
sjplimp 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
sjplimp 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
sjplimp 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
sjplimp b82dc33475 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8015 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-04-12 22:22:47 +00:00
pscrozi 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
athomps 039ebfbdbe Tweaked the triclinic text 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8013 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2012-04-10 19:36:03 +00:00
pscrozi c4fc0d38a6 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8012 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-04-10 17:11:48 +00:00
sjplimp 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