Commit Graph

39 Commits

Author SHA1 Message Date
11a3fd6ce4 Merge pull request #1556 from lammps/bug-maxexchange
more robust version of atom exchange size
2019-07-30 17:09:18 -04:00
93748a18ae further clean up of AtomVec classes after merging PR #1552 to master 2019-07-10 00:22:03 -04:00
2fd327d057 more robust version of atom exchange size 2019-07-09 16:17:54 -06:00
06dcc9e283 Merge branch 'master' into improve-include-consistency
# Conflicts:
#	src/USER-MESO/atom_vec_tdpd.cpp
2019-07-09 14:50:00 -04:00
cfaa537296 use alternate implementation of numeric conversion functions
these new functions allow to choose between aborting with Error::one()
and exiting with Error::all(). in the long run those should replace
all of the functions in Force.
2019-07-08 17:51:37 -04:00
15e1b39531 validate more numbers read from data files through using force->numeric()/force->inumeric() instead of atof()/atoi() 2019-07-07 15:52:21 -04:00
7967cb1133 put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI 2019-07-03 06:16:16 -04:00
932f052cbf more header cleanup 2019-06-27 20:52:23 -04:00
48220b39b5 include <cstdio> explicitly in .cpp files, though 2019-06-27 11:48:34 -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
090ce7cecb remove tab char 2018-02-01 18:19:37 +01:00
d2da49cdf9 modifications to correctly print modified dihedrals, impropers 2018-01-22 23:56:11 -07:00
04e401ae4b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15080 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-05-31 16:20:32 +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
0c65dab764 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13167 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-02-26 21:13:29 +00:00
31509b7528 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12409 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-09-05 15:06:29 +00:00
47b6b3bb41 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12073 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-06-04 22:12:23 +00:00
3545d44d0d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12040 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-05-29 22:51:58 +00:00
59971d1616 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11938 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-05-07 16:25:27 +00:00
4c9bba90f1 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11937 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-05-07 16:15:31 +00:00
aa0f65b373 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11535 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-02-12 00:35:44 +00:00
0ce16af78b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11328 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-01-25 22:46:08 +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
02cd6e118b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11125 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-12-18 13:28:46 +00:00
ec6c602730 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11027 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-11-20 17:21:27 +00:00
07071dccd9 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9837 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-05-08 15:59:33 +00:00
609226f8d0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9743 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-04-03 17:59:23 +00:00
da77d5e62a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9737 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-04-03 16:52:29 +00:00
0c6b84987c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9346 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-01-31 16:31:03 +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
4ba21107a1 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7891 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-03-02 16:34:21 +00:00
8ff0659bae git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5947 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-04-15 22:25:19 +00:00
819524ebd6 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5932 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-04-13 21:40:14 +00:00
649ea52fbd git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5753 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-03-07 22:46:48 +00:00
0c76e65560 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3355 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-11-09 18:20:20 +00:00
a15113ed1f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1470 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2008-02-08 19:47:58 +00:00
aaed6ebc33 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@622 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-06-20 13:17:59 +00:00
284c1f2d04 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@255 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-01-30 00:31:11 +00:00