Commit Graph

78 Commits

Author SHA1 Message Date
44841f6891 fix ave/chunk fixes, 2d disc option, fix_modify dynamic/dof 2017-03-23 15:31:27 -06:00
dcede304df changes for next patch, 2d disc options for spheres, fix external upgrade, bug fixes for fix ave/chunk for density calcs, Aidan doc page citation deconvolution 2017-03-21 08:56:37 -06:00
fdf5d68f9f allow to extract properties in NH integrator only when they are active 2016-11-14 09:27:33 -05:00
0c25f3b1d6 whitespace cleanup 2016-11-13 23:20:09 -05:00
14c7cf4197 retrieve target temperature and pressure from fix npt. add sanity checks. 2016-11-13 23:18:59 -05:00
d9891abdf4 new library functions 2016-10-27 09:34:04 -06:00
72c5792230 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15615 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-09-21 15:40:42 +00:00
958e3e6a80 sync with Git
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15520 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-08-29 23:49:20 +00:00
639ea6c396 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15468 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-08-10 14:59:04 +00:00
ae255c847b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15375 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-07-27 22:51:18 +00:00
ddd85f006c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15369 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-07-27 14:04:56 +00:00
84de575cc7 fixed case where no axial components are active
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15160 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-09 18:31:54 +00:00
0f3e4182e8 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15109 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-06-06 23:21:39 +00:00
5f86c15dd2 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14895 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-04-27 14:56:23 +00:00
984a1afa72 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14449 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-01-15 15:53:23 +00:00
3ca986fc6a Fixed undefined tdof in setup
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14277 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-12-01 21:42:17 +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
066e7598c9 Fixed problem with box flips under NVT
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14161 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-21 23:20:45 +00:00
546186739c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14064 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-09-24 20:34:59 +00:00
b7ece0fb51 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12693 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-11-17 18:11:29 +00:00
a9906d1023 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12631 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-10-10 14:46:01 +00:00
13ebe937e2 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12630 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-10-10 14:02:47 +00:00
7b64253516 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12567 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-09-26 21:28:48 +00:00
4455b66003 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12207 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-07-28 19:58:51 +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
48b8860e43 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11888 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-05-02 15:56:16 +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
3d6ac732ad git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11616 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-03-10 15:45:25 +00:00
a1ef01fc1a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11243 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-01-14 16:17:20 +00:00
dda38788f7 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10300 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-07-23 16:13:20 +00:00
aa33af4032 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10160 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-06-28 19:00:58 +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
b95500d330 Changed pre_exchange flag
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9273 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-01-15 19:07:38 +00:00
a6eb6e4f84 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9261 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-01-11 16:50:56 +00:00
be1e06897b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8551 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-07 16:12:48 +00:00
b361264715 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8536 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-06 22:11:04 +00:00
912cfaca75 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8497 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-07-25 15:15:41 +00:00
194d503cd3 Updated error message in fix nvt/npt/nph
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8473 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-07-03 23:10:18 +00:00
66c5617afb git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8395 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-06-25 22:03:31 +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
aa8aeb0294 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8164 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-23 16:24:30 +00:00
a729b8d46f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8075 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-17 21:08:55 +00:00
967a143e7e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8074 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-17 21:06:43 +00:00
2e1b7a0f0e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8037 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-03 14:58:24 +00:00
8e84840556 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8009 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-04-10 15:05:07 +00:00
fb1c3d6019 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8008 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-04-10 15:02:16 +00:00
9ce85e0c9a Added option to set fixed point for volume dilation
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8005 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-04-10 01:03:30 +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
64ab68a561 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7688 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-02-03 20:21:38 +00:00
7fb5f449e4 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7686 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-02-03 20:03:29 +00:00