5a00d3c157
Fix invalid result when dihedral quadratic angle is > pi or < -pi
2020-12-01 09:21:12 +01:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
f1ef7d85a8
T2345: Replace instances of NULL with nullptr
...
The following changes have been applied to src and lib folders:
regex replace: ([^"_])NULL ⇒ \1nullptr (8968 chgs in src, 1153 in lib)
Manually find/change: (void \*) nullptr ⇒ nullptr (1 case)
regex find: ".*?nullptr.*?"
Manually ~14 cases back to "NULL" in src, ~2 in lib
regex finds a few false positive where nullptr appears between two
strings in a function call
2020-09-12 09:34:38 -06:00
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
fcd0b9f78f
move Force::bounds() and Force::boundsbig() to utils.
2020-08-29 18:23:03 -04:00
73892711a5
mass replace calls to fread() with utils::sfread()
2019-10-19 09:25:49 -04:00
c5044d6484
continuing include file handling cleanup
2019-07-10 08:49:16 -04:00
1bd47f0318
Merge pull request #1365 from martok/meamc-evclear
...
Consolidate clearing of eflags and vflags
2019-03-25 13:14:59 -04:00
487671c46b
enable write_data functionality for more dihedral styles
2019-03-19 12:10:30 -04:00
fbd600592b
use ev_init for dihedrals
2019-03-13 17:53:22 +01:00
749f1ff407
Merge pull request #875 from akohlmey/collected-small-fixes
...
Collected small changes and bug fixes for the next patch release
2018-05-03 11:28:00 -06:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
6f9a2245d2
add write_data() support to 4 more dihedral styles, which completes the set
2018-04-23 16:56:19 -04:00
ee862d8bf5
replace leading tabs
2018-03-16 12:34:33 -04:00
35753b8f08
add error location propagation to force->bounds() and force->boundsbig()
2016-10-26 15:53:02 -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
21ac09ad9c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12715 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-11-18 00:17:02 +00:00
026ff1f6dd
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12144 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-06-27 17:22:32 +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
2dbe3f80a2
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10103 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-27 20:02:55 +00:00
9ce4e5b121
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9403 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-02-08 16:56:34 +00:00
8bd8b77489
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9013 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-26 23:01:35 +00:00
