Commit Graph

13 Commits

Author SHA1 Message Date
adf74b3a22 use https://lammps.sandia.gov based URLs consistently 2020-10-21 16:45:30 -04:00
7e68746ebe use safe reader function 2020-09-25 22:16:19 -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()
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
0d2a280397 silence compiler warnings 2020-08-13 15:46:00 -04:00
3cae295f5b make test for unsupported pair styles more restrictive and improve docs about that
EAM styles have a single function but are not compatible, so we test for
single_enable == 0 and manybody_flag != 0.
Improve explanation in the documentation about which pair styles are not supported.
2020-08-11 15:04:14 -04:00
46021a57a6 addressed incompatibility with long range coulombics 2020-08-11 12:22:07 -04:00
035fba10e5 fixed special_bonds requirements 2020-01-31 15:33:59 -05:00
923ccaaff9 fixed error handling 2020-01-31 12:56:02 -05:00
ddfdabf189 added bond style special 2020-01-30 14:16:59 -05:00