Commit Graph

33 Commits

Author SHA1 Message Date
134a2e8dd6 use fmtlib and utils::logmesg() in fix msst 2020-07-05 22:37:59 -04:00
5f68f3006f replace Fix::box_change_xxx variables with Fix::box_change bitmask and add check to Domain::init()
This allows a more specific tracking of whether multiple fixes are
modifying the same box parameter and error out in that case.
2020-02-08 15:12:26 -05:00
416911aa7e more rearranging of include file order to put implementation headers first 2019-07-03 21:57:39 -04:00
fc1d8f2cbf more cleanup of include file handling. starting to work on files in packages 2019-07-02 05:15:30 -04:00
92a4dc25b1 Fix unused params in packages (#1076) 2018-08-24 10:42:08 -06:00
e4071d7f46 replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
934cbbbeca restore lost KIM doc section in Section packages 2017-07-26 16:07:08 -06:00
60c67b07dc import updated fix msst file with some additional cleanup and simplification 2017-07-26 10:45:11 -04:00
0423971205 whitespace cleanup 2017-07-06 00:24:00 -04:00
4ee7c6f5ca remove code without effect 2017-07-06 00:23:50 -04:00
a5234d7aea fix bug reported by richard berger via https://ci.lammps.org/job/lammps/job/master/job/regression/160/testReport/junit/examples/msst/msst/ 2017-07-05 22:34:34 -04:00
4de9cec1b6 make old_velocities allocation safer while retaining the test for nlocal 2017-07-05 16:22:39 -04:00
e625e79171 safer handling of processors w/o local atoms 2017-07-05 15:04:27 -04:00
f1088a5003 changes requested by @sjplimp 2017-07-05 15:03:58 -04:00
ea4f16bd79 additional fix external hooks for calling programs 2017-07-05 10:01:19 -06:00
7cd7cda2d4 Initialize pointers in RIGID and SHOCK 2016-11-07 20:22:04 +01:00
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
cd6f885c6d Fixing memory error
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13358 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-04-01 21:13:05 +00:00
8bee4ef596 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11907 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-05-02 21:49:36 +00:00
7b96d1c2f8 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10301 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-07-23 16:13:59 +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
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
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
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
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
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
7fa074acd6 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4708 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-09-06 18:10:05 +00:00
de59192f5e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4689 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-09-06 16:04:46 +00:00
4e772d1a16 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4561 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-08-21 19:46:12 +00:00
6929e8f81a Tweaked output value of initial strain rate
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4330 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-06-21 16:38:52 +00:00
4ec563c51a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4283 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-06-17 14:27:08 +00:00
441180782e Moved compute_vsum into fix_msst
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4282 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-06-17 01:34:38 +00:00
73b32571d9 Added FixMSST in package shock
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4275 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-06-16 21:05:27 +00:00