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
039ad4f4ae
change Atom_KOKKOS::add_custom to match Atom, and tidy headers in atom.h
2024-01-22 15:11:52 +10:00
90b682834f
Merge branch 'develop' of https://github.com/lammps/lammps into develop
2024-01-16 23:36:24 +10:00
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
61ca9b79db
add custom_border to Atom and AtomKokkos
2023-12-15 11:48:46 +10:00
5a9c9981e7
replace include file with forward declaration
2023-12-14 16:18:41 -05:00
65bd04260b
bugfix for modernization
2023-10-13 14:50:03 -04:00
6c6f35dd69
modernize loops over fixes
2023-10-13 14:39:20 -04:00
8bc3965583
More robust refactor of Kokkos fix property/atom
2023-10-12 12:06:55 -06:00
4ff226b00f
Fix issues in Kokkos fix property/atom
2023-10-09 16:12:27 -06:00
b9256fa492
Reduce memory allocations
2023-05-16 11:09:37 -06:00
b560559b0a
Fix issues with Kokkos minimize
2023-05-03 10:37:41 -06:00
7791ab728f
Fix small issue
2023-04-27 11:25:34 -06:00
4705f46a30
Merge branch 'triclinic_sort' of github.com:stanmoore1/lammps into kk_sort
2023-04-27 11:10:17 -06:00
c95a349fae
Small tweak
2023-04-27 11:07:04 -06:00
1f54dc3ac4
Port changes to Kokkos
2023-04-27 11:04:39 -06:00
28d31dedc8
Add missing BinOp struct
2023-04-19 13:50:08 -06:00
f5e55bb6d9
Need to set var
2023-04-19 12:56:47 -06:00
5cb3d15ada
Add Kokkos support for atom sorting on device
2023-04-19 12:47:38 -06:00
9560fe2dd1
Fix logic for Kokkos hybrid atomvec
2023-01-24 14:15:58 -07:00
7f2e34ff57
Merge branch 'develop' of https://github.com/lammps/lammps into kk_atomvec
2023-01-24 14:15:44 -07:00
27da716852
getting out of the insurance business :-)
2023-01-23 16:45:41 -05:00
3871918916
Store first, not last AtomVec created for hybrid
2023-01-16 17:53:47 -07:00
6d8e7e1ece
Refactor Kokkos AtomVec
2022-12-12 17:34:18 -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
940e88d2ca
more clang-tidy fixes
2022-05-13 21:12:48 -04:00
1bd6e56369
simplify code using utils::strdup()
2021-08-23 21:06:56 -04:00
1a81a94dfb
fix up whitespace issues (remove tabs, trailing whitespace)
2021-08-20 15:00:19 -04:00
e08c4abb4b
whitespace fixes
2021-08-18 13:06:00 -04:00
e5a194d8d4
sync Kokkos changes with current master
2021-08-17 14:12:47 -06:00
6d3a5a6eb9
Port custom changes to atom_kokkos
2021-07-21 17:05:56 -06:00
8f8dff758e
reformat
2021-07-10 14:39:25 -04:00
4456e8151f
use explicit scoping in destructor of polymorph class
2021-07-10 10:54:02 -04:00
908587be56
Merge branch 'master' of github.com:lammps/lammps into kk_hash
2021-07-06 13:54:47 -06:00
8e185a1a12
rename USER-DPD to DPD-REACT
2021-06-29 19:41:23 -04:00
a4c2bc13cf
Add atom_map hash option for Kokkos package
2021-06-28 08:38:31 -06:00
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
256bde9282
Merge branch 'clean-master2' of github.com:julient31/lammps into spin-kokkos
2021-03-30 07:24:42 -06:00
53f32cea7e
simplify using utils::strdup()
2021-03-25 19:42:41 -04:00
382ade15fe
more consistent formatting of for/while loops and if statements
2020-12-30 09:09:08 -05:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
c4579a7502
First commit
...
- added spin/kk style files
- modified few necessary files
- compiles, but SegFault when running
2020-09-30 11:43:01 -06:00
0f6a34775c
Merge branch 'master' into symbolic-atom-constants
2020-09-15 17:44:31 -04:00
93a0d4c096
fix up some comments
2020-09-12 14:26:34 -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
9d0c3bc665
replace some numeric constants in Atom and AtomVec classes with enumerators
2020-09-11 19:07:55 -04:00
