Commit Graph

19 Commits

Author SHA1 Message Date
151110f07f refactor constant vs define in edip pair styles 2020-12-18 22:55:15 -05:00
0876684780 energy/virial flags with CENTROID enum 2020-11-18 12:17:14 -07:00
adf74b3a22 use https://lammps.sandia.gov based URLs consistently 2020-10-21 16:45:30 -04:00
1597cd5dcb T2345: After examining comments changed by batch conversion of NULL
to nullptr, I've corrected a small number where it seemed clear
that the previous NULL should have been either "NULL" (where the
code is looking for a string with that value),  or null char / null byte
(where the comment is talking about the char/byte that terminates
a c-style string).

Also changed 6 places where the batch change had changed 'NULL ptr'
to 'nullptr ptr'. Now they simply say 'nullptr'.
2020-09-12 09:34:39 -06:00
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
4396dbd9a3 move Force::open_potential() to utils::open_potential() 2020-08-29 22:37:14 -04:00
e42342ff51 zero out additionally allocated struct Param storage 2020-07-11 13:18:04 -04:00
4a2d3e95cb Replace Atom::count_words with utils::count_words 2020-05-20 15:53:19 -04:00
956d21ec0e update include lists in packages USER-MISC, USER-MOFF, USER-PTM, and USER-SMD 2019-07-10 15:51:57 -04:00
06a57dd659 use ev_unset for all pair styles 2019-03-13 17:49:16 +01:00
9c27548a5c more replacing of sprintf() with snprintf() 2018-09-06 10:45:48 -04:00
92a4dc25b1 Fix unused params in packages (#1076) 2018-08-24 10:42:08 -06:00
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
523978b4c7 dead code and uninitialized variables detected by clang 2018-02-23 12:04:15 +01:00
4b1914aa1f update citations for multi-element edip potential 2017-05-18 01:07:52 -04:00
35e92733e9 import multi-element compatible pair style edip as edip/multi 2017-05-16 17:40:59 -04:00