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 |
|
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 |
|
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
|
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
|
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
|
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 |
|
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 |
|
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 |
|
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
|
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 |
|
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 |
|
athomps
|
fb51a67f64
|
Added potential gradient columns
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5222 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2010-11-05 23:57:29 +00:00 |
|
athomps
|
8860ab54ec
|
Modified pair_styles reax and reax/c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5153 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2010-10-26 20:58:41 +00:00 |
|
sjplimp
|
0d3cb6da6b
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4713 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2010-09-06 19:28:56 +00:00 |
|
sjplimp
|
0356891730
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4712 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2010-09-06 19:28:45 +00:00 |
|
sjplimp
|
64f14417e7
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4711 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2010-09-06 19:26:20 +00:00 |
|
athomps
|
cca0a504ae
|
Added charge values to dump output.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4132 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2010-05-14 16:40:49 +00:00 |
|
athomps
|
6534fc5452
|
Remove Strachan reference in header
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3814 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2010-02-19 19:04:10 +00:00 |
|
sjplimp
|
2e51680815
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3691 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2010-01-14 23:33:28 +00:00 |
|
sjplimp
|
59905ad99a
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2975 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2009-07-02 22:30:53 +00:00 |
|
sjplimp
|
f4cc5550f7
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2966 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2009-07-02 20:23:49 +00:00 |
|
athomps
|
4b5e390775
|
Removed Si from ffield.reax
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2876 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2009-06-09 19:19:29 +00:00 |
|
athomps
|
1293b29453
|
Added Strachan reference.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2834 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2009-06-01 20:16:04 +00:00 |
|
athomps
|
883b5ae3a7
|
Added fix write/reax/bonds and reordered TATB atoms
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2793 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2009-04-30 17:01:34 +00:00 |
|
sjplimp
|
aef5044d66
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2583 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2009-02-12 21:03:10 +00:00 |