49b2b978e6
build system updates to skip fix neighbor/swap if VORONOI package is not installed
2024-12-20 19:20:51 -05:00
78aee50de8
small cosmetic changes, simplify d2/d3 examples, and create consistent logs
2024-12-20 18:49:55 -05:00
8c6a1f01f5
Misc cleanups to MDR normal submod
2024-12-20 16:49:43 -07:00
1896244d96
Adding reference to deform/pressure in barostat howto
2024-12-19 15:15:39 -07:00
c847ac1fd4
Removed trailing whitespace
2024-12-19 13:37:30 -07:00
0bd65d3489
Merge branch 'kmc' of https://github.com/jtavenner-dev/lammps into kmc
2024-12-19 13:05:33 -07:00
4004d26304
Spelling check fix
2024-12-19 12:57:17 -07:00
822f774fd0
Minor style clean ups
2024-12-19 11:50:57 -07:00
1717840c3f
Fixing deconstructors
2024-12-19 11:38:22 -07:00
acb107af5e
Merge branch 'develop' of https://www.github.com/lammps/lammps into kmc
2024-12-19 11:29:52 -07:00
82569f4448
Added documentation files
2024-12-19 11:29:19 -07:00
399f81cf46
Code by Aidan Thompson, I am only committing it; fixing the cyclical include that broke the build process after merging develop
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Co-authored-by: Aidan Thompson <athomps@sandia.gov >
2024-12-19 19:20:41 +01:00
92aae586d4
Merge branch 'develop' into kmc
2024-12-19 10:19:02 -07:00
210f7d7225
check that the internal pressure compute has not been manually replaced with a non-pressure compute without using fix_modify
2024-12-19 12:08:21 -05:00
095d33dafb
Added examples and references to the docs
2024-12-19 18:06:54 +01:00
f980e8babf
Integrated MD-KMC code to current development branch
2024-12-19 09:52:05 -07:00
1f61c9ba82
I forgot to include a change in merging develop that seems to be very important
2024-12-19 17:39:02 +01:00
824dcda382
Fixed two style issues in the docs, got rid of printf that's also deleted on develop
2024-12-19 17:22:36 +01:00
5f3ea61080
Merge branch 'develop' into mala
2024-12-19 17:16:05 +01:00
f06c4daee0
make format style variable tests unambiguous for rounding issues
2024-12-19 11:09:36 -05:00
aadc87279d
Merge branch 'fix-doc-gpu-typo' of https://github.com/DanielYang59/lammps into collected-small-changes
2024-12-19 08:35:47 -05:00
74cf599778
work around bug in FindVTK.cmake shipped with VTK 9.1 (and possibly other versions)
2024-12-19 08:32:34 -05:00
bf10fcd2f5
fix GPU build typo
2024-12-19 21:17:01 +08:00
1e968d9cb0
Merge branch 'develop' of github.com:lammps/lammps into develop
2024-12-19 13:14:38 +01:00
bff2e64bbc
Docs and example updates by Aidan Thompson
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I did NOT author this commit, I am only pushing it because for some reason, Github does not permit Aidan to do so
Co-authored-by: Aidan Thompson <athomps@sandia.gov >
2024-12-19 10:06:53 +01:00
82b0687a15
More robust dvector handling
2024-12-18 21:10:46 -07:00
844d3a6cab
Minimizing changes to pair granular
2024-12-18 17:44:12 -07:00
3b21f69d70
Merge branch 'develop' into kk_bug_fixes
2024-12-18 16:02:14 -07:00
8cf03b0b1c
Fix memory corruption in comm_tiled_kokkos
2024-12-18 15:59:42 -07:00
d764c367c7
Reorganizing MDR fix
2024-12-18 13:41:58 -07:00
ab6e3f6015
Combining fixes
2024-12-18 12:58:37 -07:00
b4a6be2623
more spelling and formatting
2024-12-18 05:24:16 -05:00
089e45375f
small doc corrections and formatting fixes
2024-12-18 04:54:33 -05:00
3311e71a82
Merge branch 'develop' into develop
2024-12-17 20:27:13 -08:00
7cd6c49a0d
added line linking example script
2024-12-17 20:26:12 -08:00
4b1a8d1a78
uncommented output line
2024-12-17 20:06:04 -08:00
03fff14922
example name suffix removed
2024-12-17 20:02:38 -08:00
6505a9052b
make format style variable tests unambiguous for rounding issues
2024-12-17 21:48:34 -05:00
6fdc67e2a8
Merge remote-tracking branch 'github/develop' into pair_d3
2024-12-17 21:22:39 -05:00
e288163ea4
Merge branch 'develop' into pair_d3
2024-12-17 21:22:05 -05:00
a47503fd8b
complete previous commit
2024-12-17 21:18:10 -05:00
cac3bdd175
move two more parameter arrays to header and make them static constexpr
2024-12-17 21:09:04 -05:00
7921aeda9e
convert defines and arrays on the stack with static constexpr local arrays
2024-12-17 20:56:35 -05:00
61734a414c
Remove unused includes
2024-12-17 18:40:48 -07:00
1ba8ec4a0a
fixed adhesion in elastic limit by updating amax assignment
2024-12-17 18:56:59 -05:00
3c026df75d
formatting docs
2024-12-17 14:36:59 -07:00
2c9ad698ca
doc updates
2024-12-17 14:36:41 -07:00
3d29991947
fix async IO bug
2024-12-17 14:22:45 -07:00
aeb2190582
Merge pull request #4404 from abkein/experimental
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Marked multitype's default constructor as noexcept
2024-12-17 15:22:33 -05:00
67a8120c44
Merge pull request #4403 from akohlmey/collected-small-changes
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Collected small changes and fixes
2024-12-17 15:17:28 -05:00
