|
|
b927375ca4
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10967 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2013-11-05 15:52:33 +00:00 |
|
|
|
09c8526430
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10875 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2013-10-18 23:17:25 +00:00 |
|
|
|
8c16d9ee7b
|
Prevented PRD use with changing box
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10873 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2013-10-18 18:54:31 +00:00 |
|
|
|
35eb67c68e
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10842 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2013-10-01 14:12:06 +00:00 |
|
|
|
72d59c438d
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10841 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2013-10-01 14:11:52 +00:00 |
|
|
|
49550263e2
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10837 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2013-10-01 13:44:17 +00:00 |
|
|
|
c612b724df
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10492 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2013-07-30 20:40:02 +00:00 |
|
|
|
f37ae6cb74
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10161 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2013-06-28 19:06:37 +00:00 |
|
|
|
b92fa00337
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10104 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2013-06-27 20:15:36 +00:00 |
|
|
|
a39eddebf9
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9953 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2013-05-30 17:00:04 +00:00 |
|
|
|
aaf9d08e74
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9861 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2013-05-10 17:32:45 +00:00 |
|
|
|
3d5d728661
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9860 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2013-05-10 17:30:13 +00:00 |
|
|
|
b595c6dc27
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9858 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2013-05-10 14:43:59 +00:00 |
|
|
|
0ca04bc6b3
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9834 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2013-05-08 15:24:36 +00:00 |
|
|
|
cc237b52a6
|
Removed reax/c time-averaging. Replaced integers with chemical symbols in pair_coeff command for reax/c (this actually happended on 2/25/2013, but should have happened now).
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9559 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2013-03-04 18:43:46 +00:00 |
|
|
|
538bd16793
|
Fixed clashes between #define constants in header files
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9557 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2013-02-26 00:02:36 +00:00 |
|
|
|
be4a5a8e54
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9523 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2013-02-18 16:01:10 +00:00 |
|
|
|
d01f873370
|
Added fix_species
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9515 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2013-02-15 21:28:35 +00:00 |
|
|
|
bb615ddd8b
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9431 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2013-02-09 19:55:00 +00:00 |
|
|
|
bf535a92a8
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9417 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2013-02-08 21:39:21 +00:00 |
|
|
|
ce7dede594
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9399 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2013-02-08 16:44:04 +00:00 |
|
|
|
9c75205cb8
|
Extended safezone and mincap to fix qeq_reax
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9157 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-12-12 22:48:57 +00:00 |
|
|
|
4ec21d8ca8
|
Added reax/c array allocation keywords
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8518 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-07-31 23:08:39 +00:00 |
|
|
|
47552d4033
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8498 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-07-25 15:16:20 +00:00 |
|
|
|
7398f3eca3
|
Removed energy_updte_freq from nonbond calculation
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8364 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-06-20 19:43:02 +00:00 |
|
|
|
69f5fbf421
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8356 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-06-20 15:49:21 +00:00 |
|
|
|
f3eb64fd0f
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8355 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-06-20 15:11:43 +00:00 |
|
|
|
0cd34fb8a2
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8354 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-06-20 14:59:29 +00:00 |
|
|
|
bb37265a85
|
Updated defaults for bond and hbond cutoffs in reax/c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8301 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-06-15 16:58:48 +00:00 |
|
|
|
ef9e700545
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8226 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-06-06 22:47:51 +00:00 |
|
|
|
4990f2e53d
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8208 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-06-01 19:38:10 +00:00 |
|
|
|
da8dd3b792
|
Changed default for threebody bond order product cutoff
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8149 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-05-22 17:54:06 +00:00 |
|
|
|
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 |
|
|
|
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 |
|
|
|
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 |
|
|
|
55fbe648f1
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7964 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-03-21 14:33:49 +00:00 |
|
|
|
b26635580a
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7923 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-03-07 15:00:52 +00:00 |
|
|
|
2e686fb6ca
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7859 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-02-28 19:59:30 +00:00 |
|
|
|
90e6bf8af0
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7674 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-02-02 17:48:43 +00:00 |
|
|
|
f884a7ec85
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7647 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-02-01 16:27:41 +00:00 |
|
|
|
5ffc4b9bc1
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7614 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-01-31 00:29:58 +00:00 |
|
|
|
96a4977bd0
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7582 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-01-26 15:55:41 +00:00 |
|
|
|
a9f695113b
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7467 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-01-09 15:25:06 +00:00 |
|
|
|
619f3e50e2
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7465 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-01-09 15:21:03 +00:00 |
|
|
|
5e7a75160a
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7458 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-01-06 20:58:15 +00:00 |
|
|
|
2b742fac28
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7455 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-01-06 20:41:12 +00:00 |
|
|
|
cf4145cfe5
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7454 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-01-06 20:40:29 +00:00 |
|
|
|
a10a777640
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7437 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-01-06 17:49:42 +00:00 |
|
|
|
f9847d8111
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7191 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2011-10-25 15:30:15 +00:00 |
|
|
|
a7d891fbf0
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7035 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2011-10-06 14:46:34 +00:00 |
|
