|
|
bd5ea1b896
|
add MS-MPI support to ML-PACE plugin and demo plugins
|
2022-11-04 23:32:40 -04:00 |
|
|
|
710197cd88
|
add MS-MPI support to CMake support for plugins
|
2022-11-04 23:00:34 -04:00 |
|
|
|
0de50f29f7
|
add option to use the MS-MPI SDK to cross-compile Windows binaries
|
2022-11-04 21:56:06 -04:00 |
|
|
|
9cbc77f41c
|
Merge pull request #3511 from akohlmey/next_patch_release
Step version strings for the next patch release
patch_3Nov2022
|
2022-11-03 11:53:08 -04:00 |
|
|
|
10d3b1a875
|
Merge pull request #3510 from akohlmey/collected-small-changes
Collected small changes for the next patch release
|
2022-11-02 19:52:06 -04:00 |
|
|
|
292cf5ff09
|
Merge pull request #3487 from bathmatt/kokkos-mliap-so3
Created a Kokkos version of the ML-IAP routines. Completed one model…
|
2022-11-02 17:13:16 -04:00 |
|
|
|
3da2a2f358
|
silence compiler warnings
|
2022-11-02 15:23:54 -04:00 |
|
|
|
390c68f967
|
use override keyword. remove virtual from function without override.
|
2022-11-02 15:23:41 -04:00 |
|
|
|
d39d272b28
|
Merge branch 'collected-small-changes' of github.com:akohlmey/lammps into collected-small-changes
|
2022-11-02 10:52:20 -04:00 |
|
|
|
017e94302b
|
add missing initialization
|
2022-11-02 06:24:26 -04:00 |
|
|
|
1db5c4b89b
|
silence compiler warnings
|
2022-11-02 06:17:07 -04:00 |
|
|
|
383178c927
|
silence compiler warnings
|
2022-11-02 06:16:04 -04:00 |
|
|
|
902a07a83a
|
update for portability
|
2022-11-01 21:23:45 -04:00 |
|
|
|
edaefd4870
|
Merge branch 'develop' into collected-small-changes
|
2022-11-01 12:16:05 -04:00 |
|
|
|
a001707b22
|
Merge pull request #3503 from akohlmey/refactor-pair-only
Refactor handling of pair/only flag for GPU and KOKKOS
|
2022-11-01 12:14:59 -04:00 |
|
|
|
c6157b51ef
|
Update docs
|
2022-11-01 07:26:18 -07:00 |
|
|
|
35bbab15da
|
Small cleanup
|
2022-11-01 07:20:17 -07:00 |
|
|
|
f9a004c752
|
synchronize comments and update formatting
|
2022-11-01 06:29:58 -04:00 |
|
|
|
2d3e5e9930
|
set pending version info in docs to 3Nov2022
|
2022-11-01 06:00:05 -04:00 |
|
|
|
6d7a1e0635
|
step version strings for the next patch release
|
2022-11-01 05:59:32 -04:00 |
|
|
|
05aca2bced
|
Merge pull request #3507 from hammondkd/thermo_mod_range
Support thermo_modify format column index ranges
|
2022-11-01 05:46:04 -04:00 |
|
|
|
e5a808fb8d
|
apply correct platform selection for OpenCL context
|
2022-11-01 04:05:57 -04:00 |
|
|
|
80a141d9c8
|
silence compiler warnings
|
2022-11-01 03:38:08 -04:00 |
|
|
|
658220c69d
|
replace variable length array
|
2022-11-01 03:37:02 -04:00 |
|
|
|
d3d83b45cb
|
adjust floating point error thresholds
|
2022-10-31 22:46:45 -04:00 |
|
|
|
b12c3b3587
|
must compare C vs. Fortran strings with trailing whitespace removed
|
2022-10-31 22:46:19 -04:00 |
|
|
|
239e40360f
|
Merge branch 'refactor-pair-only' of github.com:akohlmey/lammps into refactor-pair-only
|
2022-10-31 21:59:40 -04:00 |
|
|
|
3dcf5d70a8
|
must compare C vs. Fortran strings with trailing whitespace removed
|
2022-10-31 21:56:38 -04:00 |
|
|
|
37adaa7409
|
Merge branch 'develop' into refactor-pair-only
|
2022-10-31 21:48:10 -04:00 |
|
|
|
ccea984c4c
|
expand pair_only_flag processing to also apply to other suffix handlers
|
2022-10-31 21:47:40 -04:00 |
|
|
|
8c5d100968
|
Merge pull request #3508 from hammondkd/fortran-expansion
Fortran interface expansion
|
2022-10-31 20:31:47 -04:00 |
|
|
|
ed46cfab89
|
Remove unused variable
|
2022-10-31 16:07:13 -07:00 |
|
|
|
3252424dea
|
Merge branch 'develop' of https://github.com/lammps/lammps into kokkos-mliap-so3
|
2022-10-31 15:20:38 -07:00 |
|
|
|
131522f241
|
silence some more compiler warnings
|
2022-10-31 18:02:58 -04:00 |
|
|
|
135c6f24ad
|
Merge branch 'develop' into fortran-expansion
|
2022-10-31 17:57:33 -04:00 |
|
|
|
58c2f25b45
|
Merge pull request #3504 from akohlmey/library-plugin-update
Update example for coupling LAMMPS as a dynamically loaded library
|
2022-10-31 17:52:34 -04:00 |
|
|
|
d582d303ff
|
make compatible with g++ -ansi
|
2022-10-31 16:15:28 -04:00 |
|
|
|
6068e9df5a
|
make fully compatible with gcc -ansi
|
2022-10-31 16:13:25 -04:00 |
|
|
|
5d115fec90
|
check that wrapper for lammps_open() was compiled with -DLAMMPS_LIB_MPI=1
|
2022-10-31 16:12:56 -04:00 |
|
|
|
3ae2f9966b
|
work around warnings when compiling with C++ and gcc -pedantic
|
2022-10-31 16:12:02 -04:00 |
|
|
|
5ed7df248c
|
a real MPI library is required for the test example
|
2022-10-31 16:11:19 -04:00 |
|
|
|
27a93f12d5
|
simplify and make test more specific
|
2022-10-31 15:00:37 -04:00 |
|
|
|
8e6c7fa416
|
add note about the plugin version of the C library interface
|
2022-10-31 14:42:12 -04:00 |
|
|
|
23c22b4f4f
|
silence compiler warnings
|
2022-10-31 13:06:03 -04:00 |
|
|
|
c214a81526
|
increase portability and standard conformance
|
2022-10-31 13:05:53 -04:00 |
|
|
|
5195a7385c
|
Merge pull request #3501 from yury-lysogorskiy/bugfix/empty-spatial-domain
BUGFIX: fix pair and empty spatial domains
|
2022-10-31 12:23:35 -04:00 |
|
|
|
4c0b415487
|
Implied shape arrays for constants are not allowed in Fortran 2008 and later
|
2022-10-31 12:05:16 -04:00 |
|
|
|
eb8139aacd
|
Fix compile error with KOKKOS package
|
2022-10-31 09:47:28 -06:00 |
|
|
|
7a171ded10
|
document preference to not use "alternative tokens"
|
2022-10-30 22:07:43 -04:00 |
|
|
|
39a6a27066
|
Replaced "not" with "!" and "and" with "&&" (Windows builds?)
|
2022-10-30 18:25:16 -05:00 |
|
