Commit Graph

49 Commits

Author SHA1 Message Date
e4071d7f46 replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
0966e14e73 more changes to rRESPA neighbor lists 2017-10-17 17:33:01 -06:00
4ec07422f0 avoid division by zero when using cutoff 0.0 with pair_modify shift yes 2017-07-14 23:33:00 -04:00
51fc386e72 correct the inner loop range for resetting cutoffs when redefining a pair style
this was reported by frank uhlig on lammps-users for lj/cut, but it applies to many more pair styles
2017-05-16 00:26:18 -04:00
1cd4c48ccc new SNAP potential for W 2017-02-21 15:49:21 -07:00
35753b8f08 add error location propagation to force->bounds() and force->boundsbig() 2016-10-26 15:53:02 -04:00
354e20f431 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-10-30 20:04:06 +00:00
cee848f948 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14164 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-10-22 22:06:49 +00:00
8a10c55a3b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14139 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-10-21 19:39:28 +00:00
4a975dd8cf git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12957 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-01-19 23:49:20 +00:00
32d641d3f9 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12000 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-05-16 20:57:10 +00:00
c102c621e3 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10277 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-07-22 22:54:22 +00:00
2dbe3f80a2 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10103 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-06-27 20:02:55 +00:00
0b10887ad4 Changes to coulomb tables.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8973 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-17 23:27:34 +00:00
132aedce73 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8947 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-10-11 19:40:17 +00:00
c16e9f3545 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8918 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-10-08 14:57:13 +00:00
e27125f93e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8908 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-10-05 15:21:35 +00:00
9f8c6721d0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8866 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-10-02 20:11:55 +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
66f14edf60 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8493 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-07-24 18:33:34 +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
c27e7ac989 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8186 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-25 14:33:24 +00:00
3c613c4cf4 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7865 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-02-29 16:03:23 +00:00
77377e36da git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7852 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-02-28 17:44:54 +00:00
4f48544d41 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7379 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-12-16 21:15:49 +00:00
f90ce18f3d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7133 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-10-20 00:11:49 +00:00
19e8c92a90 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7003 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-09-23 18:06:55 +00:00
f62b317d37 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6452 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-06-20 16:42:39 +00:00
147842df01 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6327 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-06-07 18:06:14 +00:00
eb7d288360 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5896 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-04-05 19:10:43 +00:00
1f2a7add78 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5836 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-03-26 00:50:29 +00:00
fbb475b9cd git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5835 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-03-25 21:13:51 +00:00
8372b98a29 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5099 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-10-22 21:25:05 +00:00
7a60bdcb9a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3247 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-10-29 22:03:02 +00:00
64c45b8d56 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3245 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-10-29 21:50:07 +00:00
70c91c3392 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3108 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-08-18 18:02:10 +00:00
eb63ce2377 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3023 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-08-08 20:06:53 +00:00
512e816759 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1940 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2008-07-08 19:45:01 +00:00
032801c1d9 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1636 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2008-03-19 15:20:06 +00:00
b2e9f7dc10 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1272 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2008-01-02 19:24:46 +00:00
8fb52958ce git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1193 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-11-30 21:54:30 +00:00
aef3f32236 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@951 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-10-04 17:57:04 +00:00
bc528eda85 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@931 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-10-03 16:15:35 +00:00
ff535daa9f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@638 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-06-21 18:58:43 +00:00
aaed6ebc33 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@622 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-06-20 13:17:59 +00:00
209f169cbc git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@254 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-01-30 00:22:05 +00:00
bea8025b93 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@186 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2006-12-13 00:34:21 +00:00
0b9fe1a700 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@91 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2006-10-18 14:39:47 +00:00
222c95507e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@26 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2006-09-27 19:51:33 +00:00