Commit Graph

91 Commits

Author SHA1 Message Date
89ca07c76e Merge branch 'collected-small-changes' into collected-post-stable-patches 2018-12-29 12:05:30 -05:00
3a7350575c tweak coeff argument parsing settings for lj/class2/coul/long 2018-12-28 17:38:55 -05:00
96eb0ad527 Update pair_lj_class2_coul_long.cpp 2018-12-17 18:04:13 +01:00
d91c7f38f6 Update pair_lj_class2_coul_cut.cpp 2018-12-17 18:03:25 +01:00
968e56694f Update pair_lj_class2.cpp 2018-12-17 18:02:27 +01:00
0ad44efe24 Update pair_lj_class2_coul_cut.h 2018-12-17 18:00:47 +01:00
6625a066b6 Update pair_lj_class2.h 2018-12-17 17:57:51 +01:00
92a4dc25b1 Fix unused params in packages (#1076) 2018-08-24 10:42:08 -06:00
e3e040227b Fix issues in Kokkos topology files 2018-05-30 12:31:20 -06:00
e4071d7f46 replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
59dbb49cf9 remove trailing whitespace 2018-03-16 12:37:27 -04:00
58e01a9eee plug memory leak in pair style lj/class2/coul/long with coulomb tables 2018-02-25 14:03:07 +01:00
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
5f93fad012 Add copymode protection to class2 styles 2017-02-15 13:56:16 -07:00
35753b8f08 add error location propagation to force->bounds() and force->boundsbig() 2016-10-26 15:53:02 -04:00
ef079ae4eb bugfix for AngleAngle term in CLASS2 impropers by Ivan A. Strelnikov, ICP RAS
this closes #56
2016-10-10 23:56:36 -04:00
29e64df1ba git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15240 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-07-01 21:27:04 +00:00
e4ea9c0658 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14655 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-02-17 15:56:48 +00:00
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
d72fcf5acc git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13303 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-03-27 13:41:29 +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
7518fae9bc git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-10-21 17:09:24 +00:00
3b7123bec2 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11908 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-05-02 22:15:13 +00:00
3f3e996939 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11389 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-01-30 17:42:09 +00:00
9fe494cc6a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11380 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-01-29 18:59:46 +00:00
fffe7f95b7 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11379 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-01-29 18:40:05 +00:00
7f81b2f2ff git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11371 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-01-29 01:37:09 +00:00
bad19033d0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11250 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-01-17 18:43:09 +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
124bfc5ba7 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9939 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-05-30 16:29:38 +00:00
601ca515e6 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9765 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-04-08 23:38:11 +00:00
0be82bdfa0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9752 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-04-04 14:47:33 +00:00
a746d1ce48 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9567 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-03-05 00:00:50 +00:00
a5c6bfb1c5 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9566 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-03-04 23:09:29 +00:00
79410e394f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9509 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-02-15 17:32:15 +00:00
a62be73ba7 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9413 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-02-08 18:09:25 +00:00
5c4099d126 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9217 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-01-03 21:07:33 +00:00
cc101e578a Adding coulomb tabling.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9055 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-11-12 20:43:13 +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
f47d2a82b6 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8867 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-10-02 20:11:58 +00:00
e8ff810ee7 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8391 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-06-25 16:42:20 +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
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
1217612ab6 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7761 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-02-13 15:33:29 +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
d99b580613 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7375 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-12-16 19:00:27 +00:00
891740f4a2 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7374 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-12-16 01:37:13 +00:00
c6bbdcfbf2 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7184 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-10-24 20:28:02 +00:00