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
88ddfa4eb0
more IWYU cleanup in packages
2020-09-03 05:20:02 -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()
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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
1d539ea787
make single function consistent with compute
2020-08-07 00:04:59 -04:00
30100d33c6
get rid of tabs and trailing whitespace
2020-06-15 17:37:45 -04:00
73892711a5
mass replace calls to fread() with utils::sfread()
2019-10-19 09:25:49 -04:00
a1f0c0079d
some cleanup for missed steps in previous change sets
2019-07-12 16:37:01 -04:00
0f691de031
include file cleanup in some more packages
2019-07-10 01:18:34 -04:00
416911aa7e
more rearranging of include file order to put implementation headers first
2019-07-03 21:57:39 -04:00
4ec3a508fc
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
6e6f903818
use ev_init for angles
2019-03-13 17:51:41 +01:00
06a57dd659
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
03654b2b7f
rename define to better fit LAMMPS' logic
2018-08-28 15:19:07 -04:00
eb850c5326
silence compiler warning about unused static function in shared include file
2018-08-28 15:17:31 -04:00
a7a83b118d
update dependencies for USER-CGSDK package. make script permissions consistent
2018-05-09 16:13:54 -04:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -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
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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
548c589f82
update the README for USER-CGSDK
2017-04-26 19:35:54 -04:00
5c7a631988
rename USER-CG-CMM folder to USER-CGSDK
2017-04-26 19:29:39 -04:00
