|
|
f84b9f350e
|
Merge branch 'develop' of https://github.com/lammps/lammps into alphataubio-kokkos-fixes
|
2024-11-08 14:53:37 -08:00 |
|
|
|
339c9654de
|
Update GNU Make for new file
|
2024-11-08 14:42:59 -08:00 |
|
|
|
0ad6babead
|
Fix another (already existing) bug when a proc has no atoms
|
2024-11-08 08:42:47 -08:00 |
|
|
|
a445545ffb
|
Merge pull request #4371 from evoyiatzis/patch-2
fix typo in compute_temp_partial.rst
|
2024-11-08 09:30:26 -07:00 |
|
|
|
9d80d963ed
|
Merge pull request #4370 from jtclemm/small-patches
Fixing potential segfaults in granular/nstencil classes and other minor clean ups
|
2024-11-08 06:05:49 -05:00 |
|
|
|
45ea55c06a
|
Removing debug statements
|
2024-11-07 14:28:57 -07:00 |
|
|
|
6765c3b126
|
Relaxing errors in bond bpm, reusing update special for hybrid
|
2024-11-07 14:27:44 -07:00 |
|
|
|
b74096b2c4
|
Fix bug when a proc has no atoms/neighbors (existing issue)
|
2024-11-07 09:35:49 -08:00 |
|
|
|
572be91b76
|
fix typo in compute_temp_partial.rst
|
2024-11-06 11:27:45 +01:00 |
|
|
|
95509c4ef0
|
Referencing other methods compatible with BPM package
|
2024-11-05 15:47:59 -07:00 |
|
|
|
755e71e5a2
|
Missing space between words
|
2024-11-04 16:09:10 -07:00 |
|
|
|
34113226ae
|
Updating pair tracker example
|
2024-11-04 13:57:54 -07:00 |
|
|
|
5ce635757f
|
Simplifying smoothing for bpm/rotational bond style
|
2024-11-04 13:42:09 -07:00 |
|
|
|
778693c300
|
Minor clean ups to BPM bonds
|
2024-11-04 13:31:51 -07:00 |
|
|
|
645d02d13b
|
sph typo
|
2024-11-04 13:30:37 -07:00 |
|
|
|
3b3d39a8cd
|
Minor granular include clean up
|
2024-11-04 13:29:32 -07:00 |
|
|
|
3e531b9842
|
Adding clarifying comment
|
2024-11-04 13:24:27 -07:00 |
|
|
|
bf888045d6
|
Fixing memory seg fault w/ multi occasional nlist
|
2024-11-04 13:16:07 -07:00 |
|
|
|
d2f761f8ed
|
Avoiding potential segfault with granular rolling model
|
2024-11-04 12:42:04 -07:00 |
|
|
|
10767b1247
|
Merge branch 'develop' into small-patches
|
2024-11-04 12:37:57 -07:00 |
|
|
|
953762458c
|
EMPTY_MASK
|
2024-11-02 16:36:50 -04:00 |
|
|
|
1f1491a71c
|
Update fix_colvars_kokkos.cpp
|
2024-11-02 14:52:01 -04:00 |
|
|
|
03487707ae
|
atomics
|
2024-11-02 14:24:36 -04:00 |
|
|
|
ecebf18791
|
wrap host functions with sync/modify for kokkos
|
2024-11-02 13:39:23 -04:00 |
|
|
|
7eccc56607
|
auto variables for lambda capture
|
2024-11-01 19:42:16 -04:00 |
|
|
|
8695351e24
|
Merge branch 'alphataubio-kokkos-fixes' of https://github.com/alphataubio/lammps-alphataubio into alphataubio-kokkos-fixes
|
2024-10-30 21:59:05 -04:00 |
|
|
|
22d08cbac0
|
whitespace
|
2024-10-30 21:58:50 -04:00 |
|
|
|
c057b36c15
|
Merge branch 'develop' into alphataubio-kokkos-fixes
|
2024-10-30 21:50:36 -04:00 |
|
|
|
9aa9e7079a
|
cleanup
|
2024-10-30 21:44:27 -04:00 |
|
|
|
84e234921b
|
fix cuda warning
|
2024-10-30 21:36:18 -04:00 |
|
|
|
41672f6ac9
|
this might work on cuda
|
2024-10-30 20:44:25 -04:00 |
|
|
|
50dd95e6e1
|
move d_ubuf to kokkos_type.h
https://matsci.org/t/a-few-kokkos-development-questions/56598/8 (Q11)
"More correct would be to use a union with ubuf as is done in the atom_vec styles, so that no precision is lost for converting a huge 64-bit integer to a double."
|
2024-10-30 11:32:24 -04:00 |
|
|
|
6d634dc646
|
Merge pull request #4359 from jtclemm/BPM
Adding new force options to BPM package
|
2024-10-29 21:31:03 -04:00 |
|
|
|
0e1137aee7
|
add inertia()
|
2024-10-29 18:34:30 -04:00 |
|
|
|
08e460ece6
|
Update fix_cmap_kokkos.cpp
|
2024-10-29 14:09:48 -04:00 |
|
|
|
ae4cb00402
|
Update fix_cmap_kokkos.cpp
|
2024-10-29 14:09:11 -04:00 |
|
|
|
c17e2cd30d
|
Update fix_cmap_kokkos.cpp
|
2024-10-29 13:58:13 -04:00 |
|
|
|
452ae4621d
|
Update fix_cmap_kokkos.cpp
|
2024-10-29 13:29:48 -04:00 |
|
|
|
4941cf25c0
|
typo
|
2024-10-29 12:59:09 -04:00 |
|
|
|
586f2b626d
|
Update fix_cmap_kokkos.cpp
|
2024-10-29 11:13:36 -04:00 |
|
|
|
a6ad1a837c
|
Update fix_cmap_kokkos.cpp
|
2024-10-28 18:55:59 -04:00 |
|
|
|
97c6b063a7
|
Update fix_cmap_kokkos.cpp
|
2024-10-28 18:41:04 -04:00 |
|
|
|
7ffe6aefce
|
Update fix_cmap_kokkos.cpp
|
2024-10-28 18:37:21 -04:00 |
|
|
|
e4a9b06320
|
Update fix_cmap_kokkos.cpp
|
2024-10-28 17:47:57 -04:00 |
|
|
|
c00700dec7
|
cuda sync
|
2024-10-28 15:30:14 -04:00 |
|
|
|
ef1148dfa0
|
remove write_data support from BPM bond styles again and consolidate names
|
2024-10-27 22:06:56 -04:00 |
|
|
|
12f0eff7a6
|
make group kokkos aware
|
2024-10-25 20:06:13 -04:00 |
|
|
|
71bbc52feb
|
recommit changes from @stanmoore1
|
2024-10-25 20:03:45 -04:00 |
|
|
|
ea7fd079ce
|
add vcm() and angmom()
|
2024-10-25 19:14:20 -04:00 |
|
|
|
e91b5dce78
|
fix typos
|
2024-10-25 18:52:50 -04:00 |
|
