Commit Graph

19 Commits

Author SHA1 Message Date
sjplimp 6121f426d3 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10461 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-07-29 15:15:06 +00:00
sjplimp bca7913e81 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9833 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-05-08 15:23:25 +00:00
athomps dd0d1ab850 Removed reax/c time-averaging and merged reax and reax/c for fix reax/bonds and replaced integers with chemical symbols in pair_coeff command for reax/c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9558 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-03-04 18:34:42 +00:00
sjplimp f26347d476 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9091 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-11-21 16:41:32 +00:00
athomps 6f67e5cf3e Added reax/c array allocation keywords
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8517 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-07-31 23:08:02 +00:00
athomps e442279660 Updated defaults for bond and hbond cutoffs in reax/c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8302 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-06-15 16:59:04 +00:00
athomps c1a0766826 Changed default for threebody bond order product cutoff
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8150 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-05-22 17:54:28 +00:00
sjplimp 30d748812c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7844 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-02-27 18:49:13 +00:00
sjplimp aee60101d1 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7453 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-01-06 20:39:16 +00:00
sjplimp d2990ef08b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7029 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-10-06 14:15:34 +00:00
athomps e51d04c730 Added warning about box dimesnions
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6941 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-09-13 00:28:42 +00:00
sjplimp 9c88bf8203 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6826 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-08-26 18:53:00 +00:00
sjplimp a3add0b021 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6808 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-08-25 16:46:23 +00:00
sjplimp 7ea8d72b4f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6785 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-08-25 14:13:49 +00:00
sjplimp 04d7392280 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5642 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-02-15 18:42:22 +00:00
sjplimp cf905573f8 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5441 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-01-03 17:10:54 +00:00
athomps f2b88626a0 Added check for qeq and option to turn off check
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5173 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-10-27 19:46:35 +00:00
athomps ad75964dc2 Modified pair_styles reax and reax/c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5151 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-10-26 20:54:38 +00:00
sjplimp d2be0cb70a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5144 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-10-26 16:18:21 +00:00