|
|
07d456c8b2
|
Merge pull request #3147 from stanmoore1/amd_hip_opt
Improvements from AMD to KOKKOS Package
|
2022-02-22 16:06:28 -05:00 |
|
|
|
95c414e32e
|
Merge pull request #3139 from akohlmey/collected-small-changes
Collected small changes
|
2022-02-22 15:30:31 -05:00 |
|
|
|
7ac1bd1180
|
final tweaks
|
2022-02-22 09:20:19 -07:00 |
|
|
|
687a09b8a1
|
fix errors in pair style harmonic/cut docs
|
2022-02-22 04:27:12 -05:00 |
|
|
|
15acfde91e
|
more updates and corrections
|
2022-02-21 22:26:01 -05:00 |
|
|
|
b91788bf71
|
no need to use default argument
|
2022-02-21 22:12:26 -05:00 |
|
|
|
66d7f55a20
|
apply clang-format
|
2022-02-21 22:12:13 -05:00 |
|
|
|
36ecfded81
|
update according to PR #3148
|
2022-02-21 21:57:12 -05:00 |
|
|
|
a3524fc7a1
|
update atc lib
|
2022-02-21 21:33:27 -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 |
|
|
|
0988d957f5
|
Update preset configurations to include release and debug versions of MSVC and Clang only.
|
2022-02-21 19:09:59 -05:00 |
|
|
|
7ea26161f7
|
Merge pull request #3145 from lammps/pair-style-doc-page
clarify how new pair style command works
|
2022-02-21 18:22:47 -05:00 |
|
|
|
ba2a2ddd9f
|
integrate into manual. fix multiple formal issues. add a few select details.
|
2022-02-21 18:09:31 -05:00 |
|
|
|
4d9409dda9
|
Whitespace
|
2022-02-21 15:45:03 -07:00 |
|
|
|
70c149805c
|
Fix bugs in Kokkos tersoff
|
2022-02-21 15:29:01 -07:00 |
|
|
|
0d68aa0c46
|
rework documentation section on compiling on windows
|
2022-02-21 17:04:31 -05:00 |
|
|
|
d1decfe15a
|
More cleanup
|
2022-02-21 14:31:50 -07:00 |
|
|
|
d6664a8e9e
|
tweak
|
2022-02-21 14:21:35 -07:00 |
|
|
|
afbcf5e694
|
Remove early exit from blocking BuildLists
|
2022-02-21 14:00:31 -07:00 |
|
|
|
c2cec53701
|
Merge branch 'develop' of github.com:lammps/lammps into amd_hip_opt
|
2022-02-21 13:23:51 -07:00 |
|
|
|
4a2dc4f14a
|
Cleanup
|
2022-02-21 13:11:37 -07:00 |
|
|
|
e10ebf5236
|
Fix typos
|
2022-02-21 12:56:58 -07:00 |
|
|
|
1268c8c6ad
|
Update doc page and author contributions
|
2022-02-21 12:44:53 -07:00 |
|
|
|
348309582a
|
new developer page for comm functions
|
2022-02-21 12:43:35 -07:00 |
|
|
|
78775a82f4
|
Merge branch 'develop' into collected-small-changes
|
2022-02-21 14:26:50 -05:00 |
|
|
|
850f1a690c
|
Tweak default
|
2022-02-21 11:45:07 -07:00 |
|
|
|
6d790e41fa
|
Added bik lastcol behavior to documentation
|
2022-02-21 10:19:37 -08:00 |
|
|
|
c725550fff
|
Added in explicit reference column behaviour for bik rows
|
2022-02-21 10:08:58 -08:00 |
|
|
|
2a94d7a9a8
|
Remove HIP_OPT defines in pair_reaxff_kokkos
|
2022-02-21 11:07:35 -07:00 |
|
|
|
ed575ee664
|
clarify how new pair style command works
|
2022-02-21 10:21:28 -07:00 |
|
|
|
6ee14bfb97
|
correct formatting of references
|
2022-02-20 04:26:18 -05:00 |
|
|
|
63a4210391
|
Fix bug in history
|
2022-02-19 08:33:47 -07:00 |
|
|
|
6acf3c8d2a
|
Merge pull request #3138 from wmbrownIntel/intel_skip_fix
Bug fix for Intel package skip lists with multiple runs.
|
2022-02-19 05:55:11 -05:00 |
|
|
|
3ddcd3308f
|
Add documentation for bikflag
|
2022-02-19 00:46:56 -08:00 |
|
|
|
d619477195
|
Merge remote-tracking branch 'upstream/develop' into chem_snap
|
2022-02-19 00:23:30 -08:00 |
|
|
|
36edecd1e7
|
Added in ability to keep bispectrum descriptors per atom instead of summed. (Useful for non linear models)
|
2022-02-19 00:20:43 -08:00 |
|
|
|
7e876ada13
|
Merge branch 'develop' into collected-small-changes
|
2022-02-18 21:49:13 -05:00 |
|
|
|
86cb37f7ad
|
Merge pull request #3141 from lammps/developer-doc-tweaks
tweaks to 2 sub-sections of Developer manual
|
2022-02-18 21:48:29 -05:00 |
|
|
|
d88ffcf880
|
correct file name
|
2022-02-18 21:24:02 -05:00 |
|
|
|
bfea3c4589
|
rename .rst file to match headline
|
2022-02-18 21:20:35 -05:00 |
|
|
|
4dad865aea
|
small tweaks and spelling fixes
|
2022-02-18 21:19:27 -05:00 |
|
|
|
49c594be10
|
add factory function example
|
2022-02-18 21:19:06 -05:00 |
|
|
|
78f7e96a3f
|
grammar tweaks to 2 sub-sections of Developer manual
|
2022-02-18 16:45:06 -07:00 |
|
|
|
0ecb9addb2
|
Fix MPI issues
|
2022-02-18 10:58:03 -07:00 |
|
|
|
7087e78138
|
Cleanup
|
2022-02-18 10:23:34 -07:00 |
|
|
|
adbbad0c2d
|
silence compiler warnings
|
2022-02-18 12:13:26 -05:00 |
|
|
|
c31d79c3a4
|
add missing override keywords
|
2022-02-18 12:06:06 -05:00 |
|
|
|
43f5de4dbf
|
Give the compiler some help
|
2022-02-18 09:57:51 -07:00 |
|
|
|
8fa297e420
|
update comments about building LAMMPS with visual studio
|
2022-02-18 11:38:35 -05:00 |
|
