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78 Commits

Author SHA1 Message Date
athomps 298f8732e9 Updated ReaxFF ZnO citation 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9329 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2013-01-25 19:39:08 +00:00
sjplimp e56f184f27 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9026 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-10-26 23:28:57 +00:00
sjplimp ab5264cbdc git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8429 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-06-29 15:51:16 +00:00
sjplimp 7d32a328db git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8428 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-06-29 15:51:11 +00:00
sjplimp b6303a1e83 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8403 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-06-26 00:53:16 +00:00
sjplimp 8d596842eb git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8123 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-22 15:00:18 +00:00
sjplimp fac9a176b9 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7990 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-03-28 22:12:21 +00:00
athomps fe76ba56ed Remove default ReaxFF file 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7987 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2012-03-28 17:10:39 +00:00
athomps df3684bc83 ffield.reax made identical to ffield.reax.rdx 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7975 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2012-03-23 23:25:31 +00:00
sjplimp 40b3346da5 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7655 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-02-01 22:45:50 +00:00
sjplimp 5b62a1cb92 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7452 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-01-06 20:37:39 +00:00
sjplimp e62a6b19bf git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7198 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-10-25 16:24:23 +00:00
sjplimp defd9d82a6 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6977 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-09-15 15:35:41 +00:00
sjplimp 971eb93e72 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6442 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-06-20 15:09:33 +00:00
sjplimp a17c820012 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6441 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-06-20 15:08:04 +00:00
sjplimp be8b287dce git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6063 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-05-03 17:35:22 +00:00
sjplimp a13a1dcb52 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6062 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-05-03 17:35:05 +00:00
athomps e0471a3963 Added three SiC Tersoff files 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6019 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2011-04-26 21:35:24 +00:00
athomps b4de29a7c3 Added erratum for Tersoff_2 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6017 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2011-04-26 17:49:54 +00:00
sjplimp 631d5da654 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5829 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-03-25 15:53:01 +00:00
sjplimp 1d0bef316f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5697 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-02-22 20:20:14 +00:00
athomps 97773d1c15 Added some new ReaxFF examples 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5672 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2011-02-19 03:53:12 +00:00
sjplimp ef846b16c1 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5652 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-02-15 19:56:18 +00:00
athomps 0bfbb388dd Removed extra elements 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5580 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2011-01-28 17:38:58 +00:00
sjplimp 0c25b0f19b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5406 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-12-17 21:31:09 +00:00
athomps fd6c22a70f Set unused parameters to zero 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5240 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2010-11-12 23:32:32 +00:00
athomps f9c3f5b405 Added potential gradient columns 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5225 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2010-11-05 23:59:51 +00:00
athomps 9225c4a45d Turned on kc2 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5214 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2010-11-03 21:30:23 +00:00
athomps a2dba93f2c Modified pair_styles reax and reax/c 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5154 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2010-10-26 21:08:48 +00:00
sjplimp bf71465f74 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4688 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-09-04 00:27:09 +00:00
sjplimp 0f145cd71b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4636 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-09-01 00:31:26 +00:00
sjplimp 9396fad701 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4488 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-08-16 18:51:36 +00:00
sjplimp 612fcd9d94 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4039 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-04-23 19:01:26 +00:00
athomps 0c7aed155a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3816 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-02-19 19:09:45 +00:00
athomps bce258f009 Added ReaxFF parameter files 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3815 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2010-02-19 19:05:26 +00:00
athomps b747186dec Set unused paramters to zero 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3759 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2010-01-29 18:02:42 +00:00
athomps 493bf46dfd Added latest mixing rule 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3543 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2009-12-15 20:06:01 +00:00
athomps 1894ba057c Removed Si from this file 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3429 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2009-11-18 15:18:37 +00:00
sjplimp 0b0e227614 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3311 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-11-05 19:59:42 +00:00
sjplimp 97e7724158 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2841 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-06-03 19:59:19 +00:00
athomps e006e2c426 Added Erhart/Albe SiC tersoff potential from Felix Ulomek 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2804 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2009-05-05 17:18:23 +00:00
athomps 4090c2c4c6 Corrected values of R for j!=k interactions 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2762 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2009-04-15 20:04:17 +00:00
athomps 71fee196e6 Updated SiCGe.tersoff to reflect Tersoff's subsequent errata 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2675 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2009-03-18 16:59:56 +00:00
sjplimp b960f4a534 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2631 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-03-05 22:02:40 +00:00
sjplimp 9b95b33ddb git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2550 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-02-06 16:10:15 +00:00
sjplimp 5ec7eee4ed git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2450 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-01-12 22:22:37 +00:00
sjplimp 4d0f8ccf18 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2279 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2008-12-04 15:55:55 +00:00
sjplimp 926394fc45 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2136 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2008-10-01 16:28:02 +00:00
sjplimp 01f7381bc1 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2123 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2008-10-01 15:02:55 +00:00
sjplimp 6700000007 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1559 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2008-03-01 00:06:37 +00:00