|
|
bb9f468247
|
Added fix to setting pair energies in kokkos
|
2023-10-25 14:38:28 -06:00 |
|
|
|
710cd1c001
|
Merge branch 'lammps:develop' into mliap_null_fix
|
2023-10-21 04:08:19 -06:00 |
|
|
|
58d299d08e
|
Merge pull request #3948 from lammps/fix-srd-doc-page
Update citations on fix srd doc page
|
2023-10-20 22:14:19 -04:00 |
|
|
|
1064c82c00
|
Cleaned of print statements
|
2023-10-20 18:56:20 -06:00 |
|
|
|
fd05acec2f
|
fix spelling
|
2023-10-20 20:54:05 -04:00 |
|
|
|
4aedba058c
|
Merge branch 'develop' into fix-srd-doc-page
|
2023-10-20 20:47:17 -04:00 |
|
|
|
6f9310d32e
|
Merge pull request #3943 from akohlmey/collected-small-fixes
Collected small fixes and updates
|
2023-10-20 20:45:11 -04:00 |
|
|
|
e1d876b7fe
|
kokkos working
|
2023-10-20 18:41:46 -06:00 |
|
|
|
654a410b8c
|
update refs on fix srd doc page
|
2023-10-20 12:59:36 -06:00 |
|
|
|
291defb453
|
update refs on fix srd doc page
|
2023-10-20 12:57:19 -06:00 |
|
|
|
0f11a9dd70
|
require version newer than 2 Aug 2023 for LAMMPS GUI 1.5.9
|
2023-10-19 23:21:18 -04:00 |
|
|
|
d93d4f8b5c
|
normal complete, kokkos in development
|
2023-10-19 17:32:21 -06:00 |
|
|
|
1de15c38bf
|
whitespace
|
2023-10-19 12:16:26 -07:00 |
|
|
|
2401cba84a
|
Fix bug in Kokkos SNAP on GPUs
|
2023-10-19 12:15:01 -07:00 |
|
|
|
ea6bfa5948
|
Merge branch 'develop' into collected-small-fixes
|
2023-10-19 12:24:16 -04:00 |
|
|
|
f641d88f86
|
Merge pull request #3944 from Maria-Lesniewski/fix_bocs_bugfix
Propagate Barostat fixes to BOCS user package - see Lammps PR 1259
|
2023-10-19 12:22:55 -04:00 |
|
|
|
62ea874d9d
|
Add more error checks to Kokkos minimize
|
2023-10-19 08:02:11 -06:00 |
|
|
|
0fc9b194dc
|
quote strings with special characters in keyword lists
|
2023-10-19 10:01:10 -04:00 |
|
|
|
27e0a71849
|
whitespace
|
2023-10-19 07:44:44 -06:00 |
|
|
|
bcc93c2dc5
|
Initial working Null atom fix
|
2023-10-19 00:19:02 -06:00 |
|
|
|
4602c8c849
|
First null atom fix pass
|
2023-10-18 23:22:16 -06:00 |
|
|
|
e188407566
|
Cleaned fix
|
2023-10-18 23:17:25 -06:00 |
|
|
|
0501674724
|
Commit before cleaning changes
|
2023-10-18 23:07:21 -06:00 |
|
|
|
45d2a91c62
|
Barostat fix - see lammps PR 879 and 942
|
2023-10-18 13:13:37 -04:00 |
|
|
|
54ff01d86d
|
assign code owner to fix press/langevin
|
2023-10-18 08:01:41 -04:00 |
|
|
|
a5f61c5d44
|
address bugs and issues flagged by static code analysis with coverity scan
|
2023-10-18 07:59:22 -04:00 |
|
|
|
5cfd8b3c63
|
silence coverity scan warning
|
2023-10-18 07:56:50 -04:00 |
|
|
|
302e3be669
|
make sure itag is initialized
|
2023-10-18 07:51:25 -04:00 |
|
|
|
0f10269357
|
cleaning
|
2023-10-17 23:45:52 -06:00 |
|
|
|
87fdff5874
|
No variable transfer
|
2023-10-17 23:41:52 -06:00 |
|
|
|
4c980eec91
|
correct table formatting
|
2023-10-17 20:52:13 -04:00 |
|
|
|
ea69d77b79
|
fix issues with Qt library detection
|
2023-10-17 20:02:01 -04:00 |
|
|
|
dbd5f93ed4
|
whitespace
|
2023-10-17 19:41:00 -04:00 |
|
|
|
6b184e8079
|
copy-and-paste bugfix from @stanmoore1
|
2023-10-17 19:39:31 -04:00 |
|
|
|
f0801338f3
|
Merge pull request #3846 from lammps/triclinic-neighbor-bug
Fix occasional bug in neighbor list build for triclinic geometries due to round off
|
2023-10-17 19:36:43 -04:00 |
|
|
|
c051a4cf2d
|
Fix perf regression
|
2023-10-17 14:18:16 -06:00 |
|
|
|
750957d585
|
Remove unused var
|
2023-10-17 12:27:35 -06:00 |
|
|
|
3b4fff4164
|
Need to sync tag, add template param
|
2023-10-17 12:01:01 -06:00 |
|
|
|
0fe621886e
|
Merge pull request #3896 from lammps/compute-fix-variable-outputs
Standardize how computes and fixes can produce multiple kinds of output
|
2023-10-16 18:12:20 -04:00 |
|
|
|
4ae0fc8312
|
Fix GPU compile
|
2023-10-16 15:47:42 -06:00 |
|
|
|
dc67f25270
|
Another tweak
|
2023-10-16 15:17:46 -06:00 |
|
|
|
8c7493d02a
|
Fix more broken examples
|
2023-10-16 15:11:37 -06:00 |
|
|
|
462a3935fe
|
Port bugfix to Kokkos
|
2023-10-16 14:07:42 -06:00 |
|
|
|
558c1307fd
|
Merge pull request #3941 from stanmoore1/trim_fix
Fix issues with trim lists
|
2023-10-16 15:49:47 -04:00 |
|
|
|
ad1400ac71
|
Fix broken example
|
2023-10-16 12:33:21 -06:00 |
|
|
|
51f0c9eac4
|
Merge branch 'develop' of github.com:lammps/lammps into triclinic-neighbor-bug
|
2023-10-16 12:18:04 -06:00 |
|
|
|
5d0dc79403
|
Merge branch 'develop' of github.com:lammps/lammps into compute-fix-variable-outputs
|
2023-10-16 12:01:59 -06:00 |
|
|
|
53d123caa5
|
Merge pull request #3930 from stanmoore1/kk_flux
Small Kokkos changes
|
2023-10-16 14:00:04 -04:00 |
|
|
|
902e996f2a
|
restore neighbor list trimming support to REBO family of pair styles
|
2023-10-16 13:51:16 -04:00 |
|
|
|
f93ff98728
|
Fix issues with trim lists
|
2023-10-16 11:20:06 -06:00 |
|
