|
|
281e67d6fb
|
Merge branch 'develop' into distributed-grids
|
2022-12-14 18:12:10 -05:00 |
|
|
|
cf8bce646f
|
Merge branch 'distributed-grids' of github.com:lammps/lammps into distributed-grids
|
2022-12-14 15:41:10 -07:00 |
|
|
|
4efe379b7b
|
tweak dump image settings for better viz of grid cells
|
2022-12-14 15:41:01 -07:00 |
|
|
|
60a4ef5c71
|
Merge pull request #3556 from lammps/add-user-vcsgc
Add streamlined version of fix sgcmc from USER-VCSGC package
|
2022-12-14 17:24:58 -05:00 |
|
|
|
d2c77f1d0c
|
small tweaks from @athomps
|
2022-12-14 15:19:07 -05:00 |
|
|
|
b70d60ef48
|
small documentation tweak
|
2022-12-14 13:44:42 -05:00 |
|
|
|
13e5b12f21
|
Merge pull request #3555 from stanmoore1/kk_atom_vec
Refactor Kokkos `AtomVec`
|
2022-12-14 13:43:07 -05:00 |
|
|
|
26ad12e2af
|
add code owner for gcmc and sgcmc fixes
|
2022-12-14 12:28:20 -05:00 |
|
|
|
d8b404cc42
|
update docs, fix references, correct spelling issues
|
2022-12-14 10:22:47 -05:00 |
|
|
|
08a257c361
|
small IWYU fix
|
2022-12-13 20:55:53 -05:00 |
|
|
|
cf0a16a33c
|
remove comments for known functions
|
2022-12-13 20:42:19 -05:00 |
|
|
|
fdb9a75714
|
programming style updates
- partially enable clang-format
- reindent
- update parsing of numeric arguments
- update handling of error messages
- add blank after "if", "for", "while" where needed
- silence compiler warnings
|
2022-12-13 20:36:12 -05:00 |
|
|
|
df12232e24
|
Merge branch 'develop' into add-user-vcsgc
|
2022-12-13 18:31:01 -05:00 |
|
|
|
fe7b489149
|
Merge pull request #3550 from akohlmey/collected-small-changes
Collected small changes and fixes
|
2022-12-13 18:26:28 -05:00 |
|
|
|
b2b21540bf
|
import docs for fix sgcmc
|
2022-12-13 17:07:43 -05:00 |
|
|
|
998f41b8f4
|
fix typo
|
2022-12-13 16:39:18 -05:00 |
|
|
|
49cccd7526
|
add example for fix sgcmc
|
2022-12-13 16:35:49 -05:00 |
|
|
|
88ac09a8c0
|
build system support: fix sgcmc may only be compiled if EAM is available
|
2022-12-13 16:35:19 -05:00 |
|
|
|
b76e645182
|
remove optional code
|
2022-12-13 16:14:29 -05:00 |
|
|
|
630b770f80
|
rename files
|
2022-12-13 15:58:16 -05:00 |
|
|
|
422b9999f5
|
add lammps copyright headers
|
2022-12-13 15:56:42 -05:00 |
|
|
|
1440ff7b16
|
import fix sgcmc code from lammps-plugin repo
|
2022-12-13 15:50:21 -05:00 |
|
|
|
8248b5bc18
|
Merge branch 'develop' of github.com:lammps/lammps into distributed-grids
|
2022-12-13 13:00:31 -07:00 |
|
|
|
77dea685b5
|
Small cleanup
|
2022-12-13 12:10:56 -07:00 |
|
|
|
bd2001578b
|
Remove more redundant variables
|
2022-12-13 10:56:56 -07:00 |
|
|
|
a94ec5fdf7
|
Remove redundant variables
|
2022-12-13 10:20:12 -07:00 |
|
|
|
88b89b67a2
|
Merge pull request #15 from akohlmey/kk_atom_vec
Small update to LAMMPS PR #3555 branch for consistency and to fix compilation errors
|
2022-12-13 08:58:31 -07:00 |
|
|
|
dd7a39b702
|
add missing entry to table
|
2022-12-13 09:22:02 -05:00 |
|
|
|
62a1cf5a84
|
provide backward compatible URLs to reduce 404 errors on www.lammps.org
|
2022-12-13 05:28:28 -05:00 |
|
|
|
d7742412b3
|
must use dynamic cast due to virtual inheritance
|
2022-12-12 20:37:53 -05:00 |
|
|
|
3b2376d0bb
|
use virtual inheritance consistently for all atom styles
|
2022-12-12 20:37:30 -05:00 |
|
|
|
6d8e7e1ece
|
Refactor Kokkos AtomVec
|
2022-12-12 17:34:18 -07:00 |
|
|
|
4458c36676
|
some more dead code removed that was detected by clang 15
|
2022-12-12 09:45:55 -05:00 |
|
|
|
79ab63a33c
|
a few more IWYU updates
|
2022-12-12 09:45:29 -05:00 |
|
|
|
ebcb702e95
|
remove dead code detected by clang 15
|
2022-12-12 07:07:06 -05:00 |
|
|
|
b30ce3ff32
|
next round of IWYU updates
|
2022-12-12 01:07:46 -05:00 |
|
|
|
01a54723d7
|
more iwyu updates
|
2022-12-11 23:40:31 -05:00 |
|
|
|
302bec9de4
|
stay compatible with older C++ compilers
|
2022-12-11 22:58:54 -05:00 |
|
|
|
a3c0be875e
|
include-what-you-use updates
|
2022-12-11 22:46:54 -05:00 |
|
|
|
e0792d3a62
|
apply code changes suggested by clang-tidy
|
2022-12-11 18:44:50 -05:00 |
|
|
|
9beb64236e
|
skip gather_bonds test when atom style full is no available
|
2022-12-11 17:50:47 -05:00 |
|
|
|
2f84eac5c5
|
add c wrapper to allow testing fortran interface w/o fortran MPI libs
|
2022-12-11 17:50:03 -05:00 |
|
|
|
aed6eb0947
|
fix typo
|
2022-12-10 09:59:49 -05:00 |
|
|
|
2421f9098c
|
Merge pull request #3517 from akohlmey/document-style-flags
Provide more and updated details about implementing new styles in LAMMPS
|
2022-12-10 09:59:01 -05:00 |
|
|
|
07bb7b3195
|
fix up kim unit tests broken by recent changes
|
2022-12-09 19:56:45 -05:00 |
|
|
|
4a18561005
|
Merge pull request #3552 from lammps/kk_min_bug
Fix bug in Kokkos minimize on GPUs
|
2022-12-09 19:30:53 -05:00 |
|
|
|
34f44daef5
|
some small programming style updates
|
2022-12-09 16:56:50 -05:00 |
|
|
|
b0accb4ebf
|
replace atoi() with suitable utility functions
|
2022-12-09 16:56:17 -05:00 |
|
|
|
f24cb96517
|
use utils::numeric() instead of atof(), improve error messages
|
2022-12-09 16:29:32 -05:00 |
|
|
|
5e2a8beb4a
|
Fix bug in Kokkos minimize on GPUs
|
2022-12-09 14:28:26 -07:00 |
|
