Commit Graph

41 Commits

Author SHA1 Message Date
5b40e4cb38 new accessor APIs for fixes and computes in Modify plus a few applications 2021-10-16 06:00:28 -04:00
09c19a936b update URLs in source code and manual 2021-05-24 14:18:20 -04:00
d8291eea7b Merge branch 'master' into prepare-clang-format
# Conflicts:
#	src/MOLECULE/bond_fene.h
#	src/MOLECULE/bond_fene_expand.h
2021-05-11 21:49:48 -04:00
d1941392d3 disable clang-format for all existing .cpp files (for now) 2021-05-05 23:53:38 -04:00
22e93468d6 simplify code by appling varargs messages and warnings 2021-05-05 18:19:12 -04:00
8541b0da3e reduce compiler warnings by avoiding to redeclare variables so they shadow others 2021-04-23 15:35:45 -04:00
b53822da46 provide Command base class in command.h for deriving command styles from 2021-04-13 17:47:00 -04:00
adf74b3a22 use https://lammps.sandia.gov based URLs consistently 2020-10-21 16:45:30 -04:00
6967522a4f fix logic error 2020-09-25 22:08:28 -04:00
6113169a47 IWYU based include statement cleanup 2020-09-02 17:39:34 -04:00
96d8d12a88 replace calls to force->*numeric() with the corresponding utils::*numeric()
this also removes the now obsolete functions from Force
2020-08-29 20:31:02 -04:00
729cc81f31 make more use of utils::logmesg() 2020-07-31 22:16:06 -04:00
48b7b7d722 fix up change_box and displace_atoms lost atoms error message 2020-06-04 22:09:40 -04:00
b9a9bebd37 delay change_box error check on per-atom restart data existing 2020-02-20 12:48:44 -07:00
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
b34dac41c2 port documentation spelling fixes to comments or strings in source code. 2018-11-19 16:15:24 -05:00
e4071d7f46 replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
32b967ed9c add rigid body overlap warnings to change_box and delete_atoms 2017-06-13 16:26:49 -04:00
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
f14e5cdce6 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12714 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-11-18 00:15:46 +00:00
de0c8d1f14 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11946 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-05-08 14:51:32 +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
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
9e6e3ea344 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10660 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-08-23 14:10:28 +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
db8eda0253 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9913 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-05-24 18:55:24 +00:00
5a7e5b3cab Removed invalid arg count check
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9154 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-12-12 22:40:03 +00:00
c22237f395 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8916 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-10-08 14:52:40 +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
a930905787 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8084 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-17 23:47:57 +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
d892afbf67 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7734 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-02-09 16:56:02 +00:00
ebebc70142 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7723 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-02-07 23:27:34 +00:00
75990ce095 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7712 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-02-06 18:44:03 +00:00
c81b8c5d04 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7702 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-02-06 16:58:46 +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
9600268de9 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4320 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-06-18 19:49:12 +00:00
12da1e9350 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1905 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2008-06-23 15:26:03 +00:00
6627332568 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@690 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-06-27 20:57:28 +00:00