9f2cc1e38b
Add two-level sort to simplify algorithm
2024-04-10 17:24:08 -06:00
0f5221a485
Improve Kokkos sorting
2024-04-05 15:55:13 -06:00
0ce25755cd
second round of include-what-you-use updates
2024-02-28 15:37:13 -05:00
f38f2ef4f2
Fix bug
2024-02-16 12:02:06 -07:00
703ea412cb
Need to clear atom map in exchange
2024-02-16 10:32:05 -07:00
e03534196a
Remove duplicated code
2024-02-15 17:15:18 -07:00
8c242e7ee8
Fix some issues
2024-02-15 16:45:10 -07:00
a452ddc667
Tweaks
2024-02-15 13:01:43 -07:00
52aefdd117
Add Kokkos package option to build atom map in serial on CPU
2024-02-14 16:42:45 -07:00
a6261d75b9
some more define to static constexpr conversions
2024-01-24 21:14:19 -05:00
01973ddf23
Merge branch 'develop' into alphataubio-charmmfsw-kk
2024-01-18 16:37:27 -05:00
18d140a96e
Small tweak
2024-01-11 15:51:50 -07:00
22d50b32e7
Fix more warnings and remove deprecated Kokkos code
2024-01-11 15:40:45 -07:00
db45c23d69
silence compiler warnings
2024-01-10 11:52:09 -05:00
cc957c6713
Fix another bug
2024-01-08 10:56:32 -07:00
b03bee49b3
Small tweak to fix warning
2023-11-27 11:48:42 -07:00
e15aef290d
Update atom_map_kokkos.cpp to fix overflow warning
...
fix overflow compile warning while building KOKKOS package with -D LAMMPS_SIZES=bigbig:
/home/XXXX/lammps-2Aug2023/src/KOKKOS/atom_map_kokkos.cpp: In lambda function:
/home/XXXX/lammps-2Aug2023/src/KOKKOS/atom_map_kokkos.cpp:218:21: warning: overflow in conversion from ‘long int’ to ‘int’ changes value from ‘9223372036854775807’ to ‘-1’ [-Woverflow]
218 | int i_closest = MAXTAGINT;
| ^~~~~~~~~
2023-11-25 03:06:10 -05:00
4f57026dc0
whitespace
2023-05-16 21:15:01 -04:00
b1ee177c0a
Must use local variable for lambda capture
2023-05-16 12:43:19 -06:00
b9256fa492
Reduce memory allocations
2023-05-16 11:09:37 -06:00
6074303f4a
whitespace
2023-05-05 19:13:49 -06:00
806af5322e
Kokkos package optimizations
2023-05-05 19:08:02 -06:00
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
9a19a814e4
apply clang-format to packages
2021-08-23 21:06:33 -04:00
ac07253ed6
Fix GPU issues
2021-07-13 10:29:37 -06:00
01d7afdaa4
Small refactor
2021-07-12 15:54:02 -06:00
b4d3dbe0af
Avoid unnecessary deep_copy when only a single memory space
2021-07-12 14:11:53 -06:00
ad966e130b
Fix typos
2021-07-12 10:41:31 -06:00
8f8dff758e
reformat
2021-07-10 14:39:25 -04:00
0eaacea67d
Whitespace
2021-07-09 14:17:06 -06:00
6c088b97ac
Add missing data transfer for map_array
2021-07-09 14:08:32 -06:00
4f6e28a0d8
Refactor use of Kokkos::UnorderedMap to fix Cuda issue
2021-07-06 13:49:12 -06:00
a4c2bc13cf
Add atom_map hash option for Kokkos package
2021-06-28 08:38:31 -06:00
