Commit Graph

76 Commits

Author SHA1 Message Date
a8c1ce98cf remove trailing whitespace 2020-06-11 19:04:15 -04:00
d02363b8fb adding a reset_ids sort option 2020-06-10 16:33:05 -06:00
88bf503451 Merge from master 2020-04-30 08:17:05 -06:00
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
d8ef5f6991 added internal fix dummy command to enable more control of fix ordering 2019-11-05 12:57:34 -07:00
11a3fd6ce4 Merge pull request #1556 from lammps/bug-maxexchange
more robust version of atom exchange size
2019-07-30 17:09:18 -04:00
2fd327d057 more robust version of atom exchange size 2019-07-09 16:17:54 -06:00
7967cb1133 put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI 2019-07-03 06:16:16 -04:00
31cbccda85 continue cleaning up include file lists 2019-06-29 09:37:44 -04:00
0305cca1df make certain that *_freq flags are initialized. use -1 instead of 0 to avoid division by zero 2018-09-10 22:47:45 -04:00
e9bc939098 Fix more unused parameter warnings (#1076) 2018-08-23 12:22:44 -06:00
e4071d7f46 replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
c399b75dec 2nd try on LATTE error returns, plus a couple minor doc edits 2018-02-20 12:52:12 -07:00
b3547a9eca add infrastructure for enabling fixes to contribute to the virial by aidan 2017-09-11 11:09:59 -04:00
7f63c09667 correct comment for Fix::ev_setup() 2017-07-05 22:35:58 -04:00
44841f6891 fix ave/chunk fixes, 2d disc option, fix_modify dynamic/dof 2017-03-23 15:31:27 -06:00
0068ef5616 added molecule option to compute group/group command 2017-02-10 09:25:32 -07:00
45f2e86dd6 NULLed ptrs in files 2016-11-07 16:07:37 +01:00
b3d2fb91bb new fix wall/gran/region command, REBO bug fix, new example log files 2016-10-06 15:47:41 -06:00
c46be7db62 changes to imbalance weight factors 2016-10-05 10:33:39 -06:00
f718c54430 sync with GH
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15634 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-09-23 21:04:56 +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
1f6518400e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15429 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-08-03 19:31:52 +00:00
c5aece5b43 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15289 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-07-12 22:40:15 +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
b74ea86bcf git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15189 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-06-17 20:54:47 +00:00
50ac419d3f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15159 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-06-08 23:15:55 +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
e91bd244af git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13708 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-07-24 15:50:34 +00:00
3624222273 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13335 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-03-31 14:50:28 +00:00
bd37304ade git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13332 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-03-30 23:17:06 +00:00
acfc16d41a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13262 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-03-18 23:44:20 +00:00
c3e7b8587a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13257 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-03-18 23:34:41 +00:00
0ed5c699cc git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13058 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-02-04 22:14:27 +00:00
e1cd500a21 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13008 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-01-30 18:51:56 +00:00
48cd742b52 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12998 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-01-28 17:19:47 +00:00
e72afc5488 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12955 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-01-19 23:38:26 +00:00
fd5b627cf0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11887 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-05-02 15:49:01 +00:00
0916861315 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11777 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-04-11 14:46:49 +00:00
5bdd5c3c25 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11627 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-03-12 16:37:16 +00:00
9c33209b2d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11537 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-02-12 00:36:16 +00:00
0680636555 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10804 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-09-18 14:05:57 +00:00
7511965094 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10626 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-08-21 17:22:55 +00:00
c2fd1c17b2 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10611 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-08-20 20:44:10 +00:00
856f78e50a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10349 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-07-25 17:47:47 +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
afac9a0f14 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9754 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-04-06 23:08:09 +00:00
dba019f3e4 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8723 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-28 14:21:55 +00:00
3c1f57ce6d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8430 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-06-29 16:38:11 +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