Commit Graph

52 Commits

Author SHA1 Message Date
27da716852 getting out of the insurance business :-) 2023-01-23 16:45:41 -05:00
13e5b12f21 Merge pull request #3555 from stanmoore1/kk_atom_vec
Refactor Kokkos `AtomVec`
2022-12-14 13:43:07 -05:00
bd2001578b Remove more redundant variables 2022-12-13 10:56:56 -07:00
6d8e7e1ece Refactor Kokkos AtomVec 2022-12-12 17:34:18 -07:00
ebcb702e95 remove dead code detected by clang 15 2022-12-12 07:07:06 -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
29e1595fb4 Updates to BibTeX syntax for anything that needed it that I caught and fixes to address Issue #2597 2022-08-13 04:51:54 -05:00
853e3ae99b fix typo and clarify error message 2022-05-17 13:52:29 -04:00
df40732343 Make cast to double explicit 2022-05-16 15:00:13 -04:00
d32885fbe3 Fix compiler warnings 2022-05-16 14:48:02 -04:00
659fd82a9e Fix compiler warnings 2022-05-16 14:35:24 -04:00
d4ea5ca49e more clang-tidy fixes after re-running it with added settings 2022-05-14 07:18:05 -04:00
78c10bac4a clang-format update 2022-04-23 13:08:11 -04:00
79a7d2abf6 remove error docs from header files 2022-04-22 23:31:15 -04:00
095c610a3f no more need to explicitly initialize empty fields 2022-04-14 12:00:56 -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
68673633f0 silence compiler warnings about unused variables 2022-03-18 18:09:24 -04:00
25d8950f94 Merge branch 'develop' into neigh-request-refactor 2022-03-15 11:39:45 -04:00
0fcf40c48e use MathConst::MY_PI more consistently and benefit from it being a constexpr 2022-03-10 14:14:32 -05:00
55f8bf9c51 adapt some more styles to use the new neighbor list request API 2022-03-08 15:27:37 -05:00
3b0a6ac840 add support for requesting SSA neighbor lists and update a few more styles 2022-03-08 06:17:13 -05:00
de4a9f268e rename reverse communication calls 2022-02-21 21:18:28 -05:00
4c0192cae1 rename forward communication functions for pair, fix, compute, and dump 2022-02-21 21:15:10 -05:00
6366972ef4 remove dead code and reduce compiler warnings
# Conflicts:
#	src/RIGID/fix_rigid_small.cpp
2022-02-10 14:41:09 -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
7aaa85c3a1 Apply override to NBin classes 2022-01-20 15:44:16 -05:00
32a19d982a Apply override to NStencil classes 2022-01-20 15:37:15 -05:00
7ee3171d16 Apply override to NPair classes 2022-01-19 21:51:21 -05:00
b45a6d7720 Apply override to AtomVec classes 2022-01-19 17:31:41 -05:00
85433e8bd1 use true/false instead of 1/0 detected and changed by clang-tidy 2021-10-20 12:41:02 -04:00
f392b089a4 modernize 2021-10-16 21:40:17 -04:00
cfdf9cee5d modernize 2021-10-16 21:28:18 -04:00
2fba6b44e4 use '= default' when default functions should be used 2021-10-13 23:59:05 -04:00
7b6a3c4307 remove redundant void arguments 2021-10-12 21:17:46 -04:00
3a3f07d91a use portable logic operators 2021-10-07 15:05:32 -04:00
8b36061db4 replace MPI_Wtime() with platform::walltime() 2021-10-05 22:53:39 -04:00
139dfd89e2 for improved C++20 compatibility 2021-10-01 15:14:53 -04:00
bca99f684f update list and order of include files from include-what-you-use analysis 2021-09-18 14:16:48 -04:00
385220fd4b format changes 2021-09-17 22:50:15 -04:00
96280dc185 Merge branch 'master' into fix-property-array 2021-08-17 12:19:27 -06:00
e6af1eecb8 resolved merge conflicts with master 2021-08-17 11:55:33 -06:00
a901427ee0 Merge pull request #2876 from akohlmey/address-lgtm-issues
Address code quality issues flagged by lgtm.com
2021-08-17 08:53:09 -04:00
1abce8e821 remove dead code 2021-08-13 05:51:05 -04:00
29bf3acd9e apply changes to modify class 2021-08-06 18:34:32 -04:00