b6f98244dc
Fix out of bounds access in pair_vashishta_kokkos with skip list
2023-01-27 11:28:17 -07:00
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
09c19a936b
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
d1941392d3
disable clang-format for all existing .cpp files (for now)
2021-05-05 23:53:38 -04:00
0b73ab96d2
avoid replicated code, consolidate variables and element mapping
2021-03-27 12:09:36 -04:00
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
f67bd8eb5d
more KOKKOS, USER-OMP, and USER-INTEL include file cleanup
2020-09-03 10:54:06 -04:00
f0e36c74a8
silence more signedness comparison warnings
2020-08-15 18:10:13 -04:00
4227c5e9e1
silence more compiler warnings about unused parameters and variables
2020-08-13 18:19:35 -04:00
ed566bf6af
First set of changes for Kokkos HIP
2020-08-04 12:16:26 -05:00
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
59dbb49cf9
remove trailing whitespace
2018-03-16 12:37:27 -04:00
15a9600569
Fix compiler warnings
2018-03-14 13:27:03 -06:00
15a3364c2c
Make memory_kokkos its own class
2017-12-01 09:13:31 -07:00
8ed881947f
Fix execution space in manybody potentials
2017-07-21 14:28:13 -06:00
9fec8a0470
Remove clean_copy function from pair_vashishta_kokkos
2017-06-26 10:56:03 -06:00
1f6c1942b3
Disable allocation of per-atom arrays in ev_setup for Kokkos styles
2017-03-08 12:42:44 -07:00
1cd4c48ccc
new SNAP potential for W
2017-02-21 15:49:21 -07:00
1834a5e46c
Fixing more Kokkos per-atom and fdotr issues
2017-02-02 15:21:21 -07:00
daf9f95381
Fixing Kokkos per-atom e/v issue
2017-02-02 13:09:52 -07:00
d20b32092e
Building correct shortlists and removed rsq test in force loops
2016-11-08 18:57:27 +01:00
f333d659c2
Using short neighborlists in neigh full
2016-10-29 22:54:43 +02:00
51e2313fac
Using short neighbor lists
2016-10-29 22:35:29 +02:00
e37d2b5c94
Calculating short neighbor lists
2016-10-29 22:20:37 +02:00
6929603eef
Added KOKKOS vashishta
...
(cherry picked from commit 5edc474bf0be574ddba96d00bb63894edf400ddb)
2016-10-25 15:07:10 -04:00
