d3b48a9346
kokkos: use std::enable_if_t and std::is_same_v
2023-04-22 16:20:04 -06:00
27da716852
getting out of the insurance business :-)
2023-01-23 16:45:41 -05:00
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
86b686f159
correct handling of neighflag member variable in KOKKOS styles
2022-03-10 00:52:16 -05:00
3ef02edb48
adapt KOKKOS package styles to use new neighbor list request API
2022-03-09 22:43:38 -05:00
c6819e30cf
simplify
2021-08-18 12:58:39 -04:00
e5a194d8d4
sync Kokkos changes with current master
2021-08-17 14:12:47 -06:00
d5ba7b2578
Propagate variable rename
2021-07-22 08:10:42 -06:00
09c19a936b
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
2f91b03c50
Small tweak
2021-05-17 09:52:50 -06:00
5271854721
Fix dellocation issues
2021-05-17 09:41:14 -06:00
07cb55ef7f
Merge branch 'master' into prepare-clang-format
2021-05-14 20:43:51 -04:00
117b6e2a80
Add copymode flag
2021-05-14 12:43:02 -06:00
7b4fdb92df
Use only copymode in Kokkos pair_styles
2021-05-14 09:36:13 -06:00
d1941392d3
disable clang-format for all existing .cpp files (for now)
2021-05-05 23:53:38 -04:00
dfb18caf5a
simplify using utils::strdup(), update order of include files
2021-03-27 16:25:55 -04:00
3bbedb1cd9
whitespace
2021-01-22 08:55:20 -07:00
0b409116aa
Template other lambdas on DeviceType
2021-01-22 08:44:29 -07:00
ae3bcff4b6
Merge branch 'master' into collected-small-changes
2021-01-05 15:24:00 -05:00
51a20175c9
more code formatting consistency changes for loops and conditionals
2020-12-30 09:47:45 -05:00
382ade15fe
more consistent formatting of for/while loops and if statements
2020-12-30 09:09:08 -05:00
8efd1c93ec
Add more granular control of Kokkos pair and fix comm
2020-12-22 09:19:01 -07:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
f1ef7d85a8
T2345: Replace instances of NULL with nullptr
...
The following changes have been applied to src and lib folders:
regex replace: ([^"_])NULL ⇒ \1nullptr (8968 chgs in src, 1153 in lib)
Manually find/change: (void \*) nullptr ⇒ nullptr (1 case)
regex find: ".*?nullptr.*?"
Manually ~14 cases back to "NULL" in src, ~2 in lib
regex finds a few false positive where nullptr appears between two
strings in a function call
2020-09-12 09:34:38 -06:00
6113169a47
IWYU based include statement cleanup
2020-09-02 17:39:34 -04:00
96d8d12a88
replace calls to force->*numeric() with the corresponding utils::*numeric()
...
this also removes the now obsolete functions from Force
2020-08-29 20:31:02 -04:00
fcd0b9f78f
move Force::bounds() and Force::boundsbig() to utils.
2020-08-29 18:23:03 -04:00
b38bf6c06a
silence some more unused parameter/variable warnings
2020-08-18 15:28:23 -04:00
f0e36c74a8
silence more signedness comparison warnings
2020-08-15 18:10:13 -04:00
ed566bf6af
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
712b8668cb
Fix Kokkos neighlist issue and remove N2 option
2020-04-28 10:33:10 -06:00
11b069ffe7
use utils::strmatch() in USER-DPD and KOKKOS for safer style matches
2020-04-13 13:38:38 -04:00
7a5f73137a
Fix runtime issues with Kokkos vatom
2020-03-26 16:21:06 -06:00
0252d8c210
Fix compile for UVM
2020-03-25 13:58:20 -06:00
e298978da0
Change Kokkos::Impl to std namespace
2020-03-25 13:58:12 -06:00
2b5a6d3b7f
clean up (some) includes in KOKKOS package
2019-07-15 18:05:20 -04:00
5b3a15bd94
putting implementation header first in package folder sources
2019-07-03 19:58:25 -04:00
06a57dd659
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
f0e48931e4
Remove deprecated KOKKO_HAVE macros
2019-03-07 10:17:32 -07:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
a6d10ba91d
Remove deprecated Kokkos code
2018-03-22 11:19:17 -06:00
80dffb27e2
Add missing header files
2017-12-01 11:33:42 -07:00
15a3364c2c
Make memory_kokkos its own class
2017-12-01 09:13:31 -07:00
611bb6f130
Reduce memory churn in pair_table_rx_kokkos
2017-06-08 09:31:51 -06:00
bf4f0817d4
fix memory leaks in pair_tabl_rx_kokkos
2017-03-31 15:57:00 -06:00
f4a08ba4fc
pass Views by reference for pair_table_rx_kokkos
...
this greatly speeds up pair_table_rx_kokkos,
and should put it on par with pair_table_rx
in the Serial case
2017-03-15 09:25:16 -06:00
4b4bc7dc3b
USER-DPD: specialize PairTableRXKokkos's compute_all_items() on NEWTON_PAIR
...
No noticable performance change, but it does eliminate a deep conditional.
2017-03-13 03:03:27 -04:00
d5eceebf32
USER-DPD Kokkos: add support for full neighbor lists.
...
Note: "newton on" still required if using non-kokkos pair styles or fixes.
Non-kokkos pairs/fixes don't expect their half lists with newton off,
which happens if newton is turned off globally by kokkos via commandline.
Note2: Regardless, fix_shardlow* will still use half lists and newton on.
2017-03-13 01:56:00 -04:00
fc23f9cfe8
Disable allocation of per-atom arrays in ev_setup for USER-DPD Kokkos styles
2017-03-08 13:07:52 -07:00
