Commit Graph

78 Commits

Author SHA1 Message Date
a726362888 Commit JT 032519
- adding all min files into new branch
- preparing branch for pull request of spin minimizer
2019-03-25 12:57:42 -06:00
e4071d7f46 replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
99d5957a01 make default argument of virtual function Neighbor::build() explicit 2018-02-22 08:42:36 -05:00
0966e14e73 more changes to rRESPA neighbor lists 2017-10-17 17:33:01 -06:00
a714b57741 make neighbor list reset message for minimization more explicit 2017-06-22 19:07:57 -04:00
7f49ee8fd7 print warning about minimization energy with fix box/relax 2017-05-03 15:33:22 -04:00
49dd9449b8 fix gcmc updates from Aidan, trimming of output for replica commands 2017-04-11 08:35:09 -06:00
f6a819580c pair TIP4P bug fix for cutoffs >> box size 2017-01-06 09:57:27 -07:00
b936d69f12 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15393 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-07-29 14:28:58 +00:00
d55f968432 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-06-17 23:48:15 +00:00
86fc7d455c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14767 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-03-22 00:17:14 +00:00
d4a5571aab git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14476 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-01-23 00:47:55 +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
56ee1b670b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14088 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-10-05 15:13:56 +00:00
ce59e32d1c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13937 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-08-28 20:00:56 +00:00
b35f4e52db git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13631 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-07-17 15:04:19 +00:00
53c37d5bda git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13074 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-02-06 18:35:38 +00:00
463db58583 Made line quadratic default and changed backtrack alpha zero check to be more friendly
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12531 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-09-24 00:45:19 +00:00
7ce215970b Changed comment
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12522 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-09-18 22:41:21 +00:00
1f667449d1 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12069 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-06-04 20:52:04 +00:00
5e1d34a23d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11617 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-03-10 15:56:49 +00:00
b0007d45b7 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10199 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-06-29 21:27:42 +00:00
7a286596d8 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9416 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-02-08 21:38:50 +00:00
da49b01f76 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9206 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-01-03 17:17:45 +00:00
bb48c5ccdc git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8312 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-06-18 23:49:36 +00:00
a8af5ea42f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8306 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-06-18 23:03:41 +00:00
7a2e00bbf1 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8242 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-06-08 16:00:32 +00:00
a1209775b4 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8228 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-06-06 23:56:25 +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
e8308edb15 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8088 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-18 16:35:19 +00:00
e4974ae9af git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8016 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-04-12 22:32:17 +00:00
3450c008aa git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7850 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-02-28 17:29:18 +00:00
52568d2738 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7849 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-02-28 17:19:20 +00:00
9d88ab7ee1 Added forcezero linesearch method
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7675 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-02-02 23:19:33 +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
62b27e5915 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7324 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-12-08 23:20:32 +00:00
8c372f6c41 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7266 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-12-01 17:21:19 +00:00
181c77d346 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7222 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-11-08 14:51:25 +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
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
3179014485 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6835 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-08-27 20:01:42 +00:00
d0efe70181 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6817 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-08-25 22:25:06 +00:00
aedbb28b6c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6486 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-06-30 20:10:18 +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
d51c47d9ab git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5705 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-02-22 22:09:18 +00:00
82ec94916d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5520 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-01-11 00:41:00 +00:00
01db59bea3 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5498 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-01-06 23:23:37 +00:00
55e8b2bee6 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5476 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-01-05 00:29:35 +00:00
8d5905c455 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5469 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-01-04 20:30:03 +00:00
f97280116a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4915 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-09-30 22:28:15 +00:00