|
|
549ea506d4
|
add var keyword to fix_deposit
borrowed from create_atoms
|
2023-10-29 15:46:55 -04:00 |
|
|
|
56d2a791af
|
whitespace
|
2023-10-28 14:01:39 -04:00 |
|
|
|
902c43e8c6
|
formatting
|
2023-10-28 13:45:55 -04:00 |
|
|
|
db91f9413d
|
docs
|
2023-10-28 13:41:42 -04:00 |
|
|
|
c5463e13f1
|
output ninserted for fixes: deposit+pour
|
2023-10-28 13:22:10 -04:00 |
|
|
|
ed6c603488
|
Merge pull request #3954 from bnebgen-LANL/mliap_null_fix
Mliap null fix
|
2023-10-26 20:18:32 -04:00 |
|
|
|
7051852f8f
|
Merge pull request #3947 from evoyiatzis/patch-7
Enable definition of cone region using equal variables
|
2023-10-26 20:07:09 -04:00 |
|
|
|
eea3b1a757
|
Whitespace
|
2023-10-26 13:59:36 -06:00 |
|
|
|
226786969a
|
Merge pull request #3953 from jibril-b-coulibaly/fix_wall_region_eflag
Fix wall region eflag
|
2023-10-26 04:41:51 -04:00 |
|
|
|
47dd98dd34
|
whitespace
|
2023-10-25 20:38:20 -04:00 |
|
|
|
8aa28e40b7
|
Merge branch 'mliap_null_fix' of github.com:bnebgen-LANL/lammps-kokkos-mliap into mliap_null_fix
|
2023-10-25 14:40:06 -06:00 |
|
|
|
bb9f468247
|
Added fix to setting pair energies in kokkos
|
2023-10-25 14:38:28 -06:00 |
|
|
|
ea744ac8f9
|
fix typos
|
2023-10-25 11:17:24 -06:00 |
|
|
|
23d4bfe198
|
reset eflag=0 in fix wall/region
|
2023-10-25 11:08:58 -06:00 |
|
|
|
358ee6eb1b
|
Merge branch 'lammps:develop' into mliap_null_fix
|
2023-10-23 05:29:07 -06:00 |
|
|
|
1db5643d6e
|
Merge pull request #3949 from Yi-FanLi/pimd_langevin_fix_t_prim
fix pimd/langevin: fix a small bug in the output of t_prim
|
2023-10-21 11:58:50 -04:00 |
|
|
|
710cd1c001
|
Merge branch 'lammps:develop' into mliap_null_fix
|
2023-10-21 04:08:19 -06:00 |
|
|
|
80f72e7a1d
|
use times inverse_np instead
|
2023-10-21 00:28:33 -04:00 |
|
|
|
3d480a01a5
|
add the missing dividing by np in compute t_prim
|
2023-10-20 23:41:06 -04:00 |
|
|
|
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 |
|
|
|
ccbe907def
|
avoid memory leak
|
2023-10-20 14:24:45 +03:00 |
|
|
|
61371bba5e
|
remove whitespace from region_cone.cpp
|
2023-10-20 13:44:35 +03:00 |
|
|
|
b22d0afd97
|
Update region.rst
|
2023-10-20 13:41:00 +03:00 |
|
|
|
c180f3d825
|
Include method & variable definitions in region_cone.h
|
2023-10-20 13:31:48 +03:00 |
|
|
|
1300999c22
|
Enable definition of cone region using equal variables
|
2023-10-20 13:24:08 +03:00 |
|
|
|
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 |
|
