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258 Commits

Author SHA1 Message Date
sjplimp 3ba07ca1e6 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9641 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-03-11 21:37:15 +00:00
sjplimp a920f23204 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9632 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-03-11 20:47:14 +00:00
athomps 9659cf6739 Updated fix reax/c/bonds command to remove time averaging. Update the pair_coeff command to use chemical symbols instead of integers 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9561 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2013-03-04 19:42:18 +00:00
athomps 3ae5083560 Updated fix reax/c/bonds command to remove time averaging. Update the pair_coeff command to use chemical symbols instead of integers 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9560 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2013-03-04 19:19:54 +00:00
athomps edc95d9a42 Added fix_species 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9517 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2013-02-15 21:29:41 +00:00
sjplimp 7ebdff8bbd git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9514 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-02-15 21:00:56 +00:00
sjplimp 2654f62891 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9513 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-02-15 20:19:33 +00:00
sjplimp 3f839cf8f0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9381 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-02-01 16:59:27 +00:00
sjplimp 3d334d0a4c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9365 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-02-01 00:06:14 +00:00
sjplimp e729c74316 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9361 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-01-31 20:15:10 +00:00
sjplimp f8ac8768d0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9358 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-01-31 19:32:24 +00:00
athomps 19a0bc490e Updated ReaxFF ZnO citation 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9331 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2013-01-25 20:01:07 +00:00
athomps c8086bffe6 Updated ReaxFF ZnO citation 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9330 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2013-01-25 19:39:24 +00:00
sjplimp 87f2415519 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9278 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-01-17 15:52:46 +00:00
sjplimp f51ad982f6 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9277 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-01-17 15:51:57 +00:00
sjplimp 9b87f88124 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9227 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-01-04 17:58:46 +00:00
sjplimp 772e83406d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9204 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-01-03 16:22:36 +00:00
sjplimp a69bbed0b7 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9184 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-01-02 16:48:13 +00:00
athomps 755e63c0bd Added alternate displace mods 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9147 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2012-12-07 16:07:10 +00:00
sjplimp fbc3f58a05 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9027 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-10-26 23:31:09 +00:00
sjplimp ccbe10ff39 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9003 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-10-25 15:42:25 +00:00
sjplimp 6dcb5fb23d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9002 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-10-25 15:35:14 +00:00
sjplimp 5f377d2d45 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8989 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-10-22 14:37:08 +00:00
sjplimp 25f111feaa git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8985 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-10-19 16:11:21 +00:00
sjplimp f74ab7aee2 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8768 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-09-11 14:27:02 +00:00
sjplimp 17a4a224a6 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8767 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-09-11 14:26:34 +00:00
sjplimp 487d2437bf git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8684 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-18 22:59:24 +00:00
sjplimp 127f12e6fa git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8669 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-15 14:18:34 +00:00
sjplimp 39818495c5 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8658 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-14 20:19:44 +00:00
sjplimp 5a74d4f88b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8637 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-13 23:53:55 +00:00
sjplimp a2f01ca576 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8636 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-13 23:49:26 +00:00
sjplimp c98a5d4149 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8629 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-13 21:44:23 +00:00
sjplimp f44c7cdc38 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8610 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-11 19:15:14 +00:00
sjplimp 92549d638f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8609 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-11 19:09:47 +00:00
sjplimp c78fd4c91f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8608 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-11 19:09:14 +00:00
sjplimp 19986f631d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8607 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-11 19:08:10 +00:00
sjplimp eb86735df2 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8606 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-11 19:07:13 +00:00
sjplimp 58443251c3 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8604 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-11 19:05:13 +00:00
sjplimp b47e7e7bde git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8569 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-08 15:31:35 +00:00
sjplimp 1236aa9a4a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8568 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-08 15:31:29 +00:00
sjplimp 44904c5bf3 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8163 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-23 16:20:25 +00:00
sjplimp 4dad31bf42 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8128 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-22 15:12:29 +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 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
athomps f5d54c5ac1 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7988 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-03-28 17:12:09 +00:00
athomps 268a29a99a ffield.reax made identical to ffield.reax.rdx 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7976 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2012-03-23 23:25:46 +00:00
sjplimp eab4d169d0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7890 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-03-02 16:19:12 +00:00
sjplimp 90700db4cc git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7826 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-02-20 23:47:46 +00:00
sjplimp e963497c6c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7795 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-02-15 15:25:35 +00:00
sjplimp 2ab478095e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7733 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-02-09 16:14:12 +00:00
sjplimp f1623a4962 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7625 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-01-31 22:52:15 +00:00
sjplimp 3affc90781 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7624 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-01-31 22:49:41 +00:00
sjplimp a6a995940f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7617 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-01-31 00:54:51 +00:00
sjplimp 04407d4f15 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7608 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-01-30 22:53:22 +00:00
sjplimp c07292f8e6 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7601 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-01-28 00:23:16 +00:00
sjplimp cc84c41ef0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7547 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-01-12 19:12:10 +00:00
sjplimp ec06aed001 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7546 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-01-12 19:03:12 +00:00
sjplimp 34c1930201 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7497 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-01-10 01:54:14 +00:00
sjplimp 9a3ab257bd git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7495 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-01-10 01:39:21 +00:00
sjplimp 3cf4cb2706 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7489 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-01-09 23:45:41 +00:00
sjplimp 876112a0c6 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7488 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-01-09 23:45:25 +00:00
sjplimp 0af770b923 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7432 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-01-06 17:34:26 +00:00
sjplimp a55728fa74 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7274 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-12-02 15:47:54 +00:00
sjplimp 70a85bddfd git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7256 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-12-01 14:58:11 +00:00
sjplimp 789f069c2b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7062 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-10-10 16:33:07 +00:00
sjplimp 42da26e307 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6946 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-09-13 22:13:14 +00:00
athomps d34543f2a6 Tweaked input file 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6925 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2011-09-02 19:16:43 +00:00
athomps 7ea78551d2 Removed some stuff 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6921 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2011-09-02 02:47:28 +00:00
athomps 2d099c8e7c Added example of nphug 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6920 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2011-09-02 02:45:31 +00:00
sjplimp 91f4940250 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6836 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-08-27 20:08:16 +00:00
sjplimp b58baf2f28 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6699 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-08-17 14:24:19 +00:00
sjplimp a2ea5509ff git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6616 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-08-08 19:01:31 +00:00
sjplimp 93b297d2e9 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6438 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-06-20 14:26:28 +00:00
sjplimp c7e91e5418 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6379 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-06-13 22:31:50 +00:00
sjplimp e07d86e93f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6273 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-06-01 00:03:29 +00:00
sjplimp 63953173fd git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6272 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-06-01 00:01:29 +00:00
athomps 4fa9d24d7e Removed unneeded changes to input scripts 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6090 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2011-05-12 21:31:44 +00:00
athomps 022748a56e Added bond output 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6089 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2011-05-12 21:23:27 +00:00
athomps b4b5e469e9 Added attribution 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6016 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2011-04-25 15:20:12 +00:00
sjplimp e2d5478a6c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5951 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-04-15 22:57:52 +00:00
sjplimp 17f9667059 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5933 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-04-13 21:40:28 +00:00
sjplimp a290cc6874 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5852 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-03-26 23:02:38 +00:00
sjplimp 06737e36b0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5851 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-03-26 22:44:59 +00:00
sjplimp d8fe7a91f0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5850 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-03-26 22:41:19 +00:00
athomps 0869b6dc12 Tweaked comments 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5807 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2011-03-21 22:54:01 +00:00
sjplimp 1d4a6440d1 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5715 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-02-22 22:35:22 +00:00
sjplimp f50885fd46 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5714 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-02-22 22:34:43 +00:00
sjplimp 74ddbe7a8f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5682 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-02-21 21:57:22 +00:00
athomps 3ce83810ef Added README files to subdirectories 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5681 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2011-02-21 19:01:30 +00:00
athomps 355da9b2ec Removed dump files from repository 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5679 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2011-02-21 17:20:57 +00:00
athomps caeb58a5eb Tweaked README 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5677 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2011-02-21 17:10:03 +00:00
athomps 79ec2261bb Added some new ReaxFF examples 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5673 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2011-02-19 03:56:58 +00:00
sjplimp a60fdb29c5 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5623 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-02-09 22:22:12 +00:00
sjplimp 4e98edb242 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5622 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-02-09 22:20:53 +00:00
sjplimp 1dcb17a2b2 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5487 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-01-05 17:29:17 +00:00
sjplimp c48247fad0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5486 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-01-05 17:25:12 +00:00
sjplimp b6eb5ae71c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5479 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-01-05 15:40:41 +00:00
athomps 29e25bd126 Added tad example 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5473 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2011-01-04 23:35:26 +00:00
athomps e97d56339b Added another output file. 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5386 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2010-12-09 19:55:23 +00:00
athomps 733eb154db Tweaked TATB output 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5239 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2010-11-11 23:15:46 +00:00