dfbeedfded
convert more neighbor list requests to the new API
2022-03-08 12:39:05 -05:00
4032c6da98
fix restart bug
2021-08-21 20:30:15 -04:00
ad5cc694dc
correctly check for and enable/disable dipole and dispersion support
2021-08-21 15:18:44 -04:00
09c19a936b
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
d1941392d3
disable clang-format for all existing .cpp files (for now)
2021-05-05 23:53:38 -04:00
49bc05aa1b
replace use of math_vector.h with math_extra.h in some more pair styles
2021-01-15 17:25:44 -05:00
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
e860779fa0
formatting update
2020-08-04 07:17:28 -04:00
357716ec4c
correctly check of mu and torque flags as those data structures are always accessed.
2020-08-04 07:17:12 -04:00
22288e06b7
Merge branch 'master' into fix-compiler-warnings
2019-10-25 14:07:50 -04:00
fe20490891
more use of utils::sfread()
2019-10-17 17:06:12 -04:00
4fca2f1f1d
fix "implicit fallthrough" warnings
2019-10-14 16:41:12 +02:00
316554297c
clean up includes in packages DIPOLE and GRANULAR
2019-07-06 10:00:24 -04:00
5b3a15bd94
putting implementation header first in package folder sources
2019-07-03 19:58:25 -04:00
06a57dd659
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
5daf1fe0d4
remove deprecated 'register' keyword. closes #922
2018-05-18 17:43:18 -04:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
ee862d8bf5
replace leading tabs
2018-03-16 12:34:33 -04:00
2c7528811d
update several pair styles to be compliant with refactored respa lists data structures
2017-10-18 11:24:12 -04:00
4ec07422f0
avoid division by zero when using cutoff 0.0 with pair_modify shift yes
2017-07-14 23:33:00 -04:00
51fc386e72
correct the inner loop range for resetting cutoffs when redefining a pair style
...
this was reported by frank uhlig on lammps-users for lj/cut, but it applies to many more pair styles
2017-05-16 00:26:18 -04:00
35753b8f08
add error location propagation to force->bounds() and force->boundsbig()
2016-10-26 15:53:02 -04:00
9b2d5ff3e7
remove executable permissions on non-executables and non-scripts
2016-09-08 14:45:07 -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
25b928b276
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13282 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-03-24 15:34:07 +00:00
84a5ec39ec
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-03-23 23:30:50 +00:00
4a975dd8cf
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12957 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-01-19 23:49:20 +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
479c7ec151
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11414 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-01-31 00:18:58 +00:00
ce91adefc1
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10197 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-29 21:20:54 +00:00
83f360b90b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10136 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-27 23:53:09 +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
94d3ef2744
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10029 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-06 14:51:09 +00:00
