Commit Graph

4987 Commits

Author SHA1 Message Date
sjplimp bf0d66a031 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8101 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-19 00:32:43 +00:00
sjplimp 7481744eca git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8100 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-18 23:37:24 +00:00
sjplimp f35d71d798 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8099 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-18 22:45:56 +00:00
sjplimp d99dd02a72 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8098 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-18 22:16:27 +00:00
sjplimp 2bddadb354 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8097 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-18 22:14:39 +00:00
sjplimp 37d733fa8f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8095 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-18 22:05:57 +00:00
sjplimp 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
sjplimp 95cf2cb86f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8093 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-18 21:08:14 +00:00
sjplimp 987aed440d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8092 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-18 21:07:14 +00:00
sjplimp 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
sjplimp 159e44fa8c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8089 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-18 16:35:25 +00:00
sjplimp 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
sjplimp 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
sjplimp 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
sjplimp 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
sjplimp 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
sjplimp 522998cf90 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8081 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-17 22:29:43 +00:00
sjplimp 828dfd909d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8080 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-17 22:25:44 +00:00
sjplimp 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
sjplimp 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
sjplimp 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
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