Commit Graph

36 Commits

Author SHA1 Message Date
27da716852 getting out of the insurance business :-) 2023-01-23 16:45:41 -05:00
d75e417a32 modernize error message creation 2023-01-07 16:39:28 -05:00
13e5b12f21 Merge pull request #3555 from stanmoore1/kk_atom_vec
Refactor Kokkos `AtomVec`
2022-12-14 13:43:07 -05:00
3b2376d0bb use virtual inheritance consistently for all atom styles 2022-12-12 20:37:30 -05:00
b30ce3ff32 next round of IWYU updates 2022-12-12 01:07:46 -05:00
f24cb96517 use utils::numeric() instead of atof(), improve error messages 2022-12-09 16:29:32 -05:00
6fe8b84c23 correct updating Makefile.package.setting edits, fix a few broken ones. 2022-11-30 19:31:00 -05:00
2132b1d904 update developer reference text 2022-10-24 11:08:26 -04:00
cccf3f6f78 change email for contacting LAMMPS developers, add to homepage checker 2022-10-20 20:36:03 -04:00
67f6adebb7 whitespace fixup with dynamic casts 2022-09-10 13:26:38 -04:00
7e6bd892ed apply clang-format 2022-09-10 03:29:32 -04:00
e94275391c Merge branch 'develop' into collected-small-changes 2022-05-17 22:10:15 -04:00
d4ea5ca49e more clang-tidy fixes after re-running it with added settings 2022-05-14 07:18:05 -04:00
99d4f83fa8 preliminary implementation 2022-05-05 09:56:22 -04:00
78c10bac4a clang-format update 2022-04-23 13:08:11 -04:00
115962db88 Merge branch 'develop' into remove-error-docs-in-header 2022-04-23 12:46:54 -04:00
79a7d2abf6 remove error docs from header files 2022-04-22 23:31:15 -04:00
47564ab6bc Merge branch 'develop' into region-lookup-refactor 2022-04-22 22:11:41 -04:00
aa4787f604 complete region handling refactor 2022-04-16 00:17:39 -04:00
b16d48aa41 "stringify" and "vectorize" processing of per-atom attributs in AtomVec classes 2022-04-14 11:06:10 -04:00
200b4f13c7 use dynamic cast instead of c-style cast when casting from base type to derived class 2022-04-10 18:18:06 -04:00
39b316729b use auto type when assigning from cast or using new 2022-04-10 18:16:36 -04:00
b97c30e6e7 more refactoring, modernizing, removing of debug code 2022-03-31 06:24:44 -04:00
a3beb063a3 update and simplify parsing of STL mesh using LAMMPS utilities 2022-03-23 18:41:17 -04:00
9bbd1df57b another chunk of neighbor list request updates 2022-03-09 19:49:08 -05:00
4c0192cae1 rename forward communication functions for pair, fix, compute, and dump 2022-02-21 21:15:10 -05:00
79a9829e92 Apply override to remaining classes 2022-01-22 09:56:01 -05:00
06beb28d7d Apply override to Pair classes 2022-01-21 16:13:49 -05:00
ff3f762499 Apply override to Fix classes 2022-01-21 14:45:53 -05:00
f83271aa40 Apply override to Compute classes 2022-01-21 13:23:36 -05:00
b45a6d7720 Apply override to AtomVec classes 2022-01-19 17:31:41 -05:00
2b480f87f1 fix segfault when using atom style smd as part of a hybrid style
also remove redundant for clearing
2021-11-16 21:48:33 -05:00
d576b69dbc plug memory leaks 2021-11-16 21:41:08 -05:00
27145d2789 catch up on refactoring default destructors that were missed previously 2021-10-14 01:12:04 -04:00
7b6a3c4307 remove redundant void arguments 2021-10-12 21:17:46 -04:00
c085e55695 rename USER-SMD package to MACHDYN 2021-06-29 17:19:39 -04:00