|
|
76387d003b
|
fine tune package check directory matching to not match bogus entries
|
2023-03-03 23:12:17 -05:00 |
|
|
|
11aa922a6c
|
Merge remote-tracking branch 'github/update_codeowners' into collected-small-changes
|
2023-03-03 22:38:26 -05:00 |
|
|
|
444a5daac5
|
Merge branch 'develop' into collected-small-changes
|
2023-03-03 22:37:20 -05:00 |
|
|
|
e373aa39e7
|
Update CODEOWNERS
|
2023-03-03 16:44:34 -07:00 |
|
|
|
de182aeeed
|
fix issues due to incomplete conversion form txt2html markup
|
2023-03-03 17:25:28 -05:00 |
|
|
|
a136283312
|
update/correct section header (this is not a fix)
|
2023-03-03 17:17:07 -05:00 |
|
|
|
13f82be035
|
fix typo
|
2023-03-03 09:12:57 -05:00 |
|
|
|
9cdb9283ca
|
another workaround for Intel GPU with OpenCL and double precision
|
2023-03-03 03:08:03 -05:00 |
|
|
|
cfb967d309
|
silence static code analysis warnings
|
2023-03-03 02:01:25 -05:00 |
|
|
|
df9bf18ed2
|
Merge pull request #3659 from stanmoore1/kk_deform_rigid
Allow `fix deform/kk` to use rigid bodies, fix logic issues with Kokkos neigh list
|
2023-03-02 19:04:13 -05:00 |
|
|
|
fa38047749
|
use sin(x+pi/2) instead of cos(x) on Intel OpenCL with double precision
|
2023-03-02 18:47:34 -05:00 |
|
|
|
da79aadc8d
|
spelling
|
2023-03-02 07:31:38 -05:00 |
|
|
|
de466cf998
|
improve documentation of the use of verlet/split run style. reformat.
|
2023-03-02 07:31:33 -05:00 |
|
|
|
63a391a649
|
replace leftover -DCUDA_PROXY
|
2023-03-01 21:05:22 -05:00 |
|
|
|
765d792f40
|
Merge remote-tracking branch 'github/develop' into collected-small-changes
|
2023-03-01 21:03:03 -05:00 |
|
|
|
2979296c02
|
Merge pull request #3666 from ndtrung81/gpu-cuda-mps
Fixed GPU library builds with CUDA MPS
|
2023-03-01 21:02:27 -05:00 |
|
|
|
c8696478b7
|
Merge pull request #3648 from jrgissing/bond/react-updates+tests
Bond/react updates
|
2023-03-01 21:01:59 -05:00 |
|
|
|
e4e994f1b1
|
add missing versionadded tags
|
2023-03-01 20:59:48 -05:00 |
|
|
|
8a1771aa61
|
implement documented pair style requirements for DPD-MESO intgreation fixes
|
2023-03-01 20:52:23 -05:00 |
|
|
|
c5c787ca5c
|
better align with docs bundled with the MSCG library
|
2023-03-01 20:41:36 -05:00 |
|
|
|
04d3032914
|
improve error messages
|
2023-03-01 20:41:13 -05:00 |
|
|
|
a715a56afe
|
fix typo
|
2023-03-01 20:41:00 -05:00 |
|
|
|
87a9695c64
|
Merge remote-tracking branch 'github/develop' into collected-small-changes
|
2023-03-01 20:37:50 -05:00 |
|
|
|
c2fe2b4360
|
Merge pull request #3661 from bathmatt/hippy-fixes
Hippy fixes
|
2023-03-01 20:36:37 -05:00 |
|
|
|
d44ba14030
|
Merge pull request #3657 from akohlmey/custom-wall-fixes
Add fix wall/table and fix wall/lepton for customizable wall fixes
|
2023-03-01 20:16:56 -05:00 |
|
|
|
2ccfe635ce
|
Removed the outdated CUDA_PROXY flag, using CUDA_MPS_SUPPORT consistently in CMake and traditional builds
|
2023-03-01 16:38:50 -06:00 |
|
|
|
ef6f4465af
|
Need to keep check for newton on
|
2023-03-01 13:05:22 -07:00 |
|
|
|
512eead15a
|
Fix logic issues in Kokkos neigh build
|
2023-03-01 12:08:33 -07:00 |
|
|
|
bc4da2afef
|
roll back change causing unittest failures
|
2023-02-28 19:26:18 -05:00 |
|
|
|
103e63eca5
|
more careful checks and print error messages to global root.
|
2023-02-28 18:58:57 -05:00 |
|
|
|
2507e414d9
|
fix broken link
|
2023-02-28 18:11:05 -05:00 |
|
|
|
a98c497dbb
|
redesign the Howto pages on water models and add inputs and molecule files
|
2023-02-28 18:10:45 -05:00 |
|
|
|
202a22ea68
|
Merge branch 'develop' into collected-small-changes
|
2023-02-28 11:27:26 -05:00 |
|
|
|
02190b82c2
|
link pair style hybrid/scaled to fix adapt and fix alchemy
|
2023-02-28 11:22:28 -05:00 |
|
|
|
a6eac92cd5
|
update list of pair styles that support fix adapt
|
2023-02-28 11:20:33 -05:00 |
|
|
|
36ce91c634
|
Merge branch 'develop' of github.com:lammps/lammps into kk_deform_rigid
|
2023-02-28 08:53:52 -07:00 |
|
|
|
2511872823
|
Updated GPU.cmake and Makefile.cuda_mps to not error out with exclusive process mode with the CUDA MPS server in use
|
2023-02-28 00:41:47 -06:00 |
|
|
|
a67d82c183
|
Merge pull request #3662 from akohlmey/fix-alchemy
New fix command for alchemical transformations using multiple partitions
|
2023-02-27 21:07:21 -05:00 |
|
|
|
81a2d47c16
|
print warning about not checking lambda variable
|
2023-02-27 16:50:17 -05:00 |
|
|
|
446913f2f3
|
make ramp more flexible by defining lambda through a variable
|
2023-02-27 16:01:17 -05:00 |
|
|
|
83f936f31b
|
Update fix_alchemy.rst
|
2023-02-27 11:00:11 -07:00 |
|
|
|
095f1d328e
|
make non-polymorph functions and all data members protected.
|
2023-02-27 12:12:39 -05:00 |
|
|
|
8368b78f23
|
document the change in mass handling
|
2023-02-26 13:52:31 -05:00 |
|
|
|
0b5acdca51
|
convert hard error about invalid atom masses from EAM potentials to warning
|
2023-02-26 13:47:11 -05:00 |
|
|
|
2bd6cde4e8
|
add reference output
|
2023-02-26 00:19:39 -05:00 |
|
|
|
76c879c388
|
make sure that output variables are initialized
|
2023-02-26 00:16:03 -05:00 |
|
|
|
3e2b5dd9d3
|
small cleanup
|
2023-02-25 23:47:46 -05:00 |
|
|
|
666be5c3d9
|
add log files for example run
|
2023-02-25 23:47:34 -05:00 |
|
|
|
c9b22ba04f
|
mention pair style hybrid/scaled as alternative
|
2023-02-25 17:17:41 -05:00 |
|
|
|
bb17541c30
|
add simple example for transforming a pure metal into an alloy
|
2023-02-25 16:01:26 -05:00 |
|
