28c9c274be
Copy MLIAPUnified LJ example
2023-05-20 14:08:20 -06:00
6977f71eb0
Initial example
2023-05-20 13:53:22 -06:00
4aee151b0e
Merge pull request #3745 from akohlmey/collected-small-fixes
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Collected small changes and fixes
2023-04-24 23:52:57 -04:00
58ec69c34a
plug memory leak in FixNHIntel class
2023-04-24 20:58:18 -04:00
9f11cac393
updated apptainer build definitions for almalinux 8/9
2023-04-24 20:41:06 -04:00
217be1f274
improve error message handling for code shared between fix nvt/nph/npt
2023-04-24 17:32:47 -04:00
cbc635110a
Merge pull request #75 from jtclemm/collected-small-fixes
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Minor changes to the style/contribute modify pages
2023-04-24 16:59:38 -04:00
90496a663b
Minor changes to the style/contribute modify pages
2023-04-24 14:31:18 -06:00
d76c9a198d
fix spelling
2023-04-24 16:06:53 -04:00
b28e650308
add deprecation warning for cuboid and sphere keywords
2023-04-24 16:04:05 -04:00
3cd6c776e7
ignore GranSubModel styles until we have a more regularized granular pair style doc
2023-04-24 16:03:38 -04:00
a83c112e9f
Merge remote-tracking branch 'github/develop' into collected-small-fixes
2023-04-24 15:41:46 -04:00
c1da9c26a1
Merge pull request #3746 from akohlmey/fix-dpd-source-region
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Add support for a region keyword to fix edpd/source and fix tdpd/source
2023-04-24 12:46:42 -04:00
bbbdfd57e4
Merge pull request #74 from jtclemm/collected-small-fixes
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Adding changes to doc page
2023-04-24 11:59:49 -04:00
289601e814
Adding changes to doc page
2023-04-24 09:29:25 -06:00
31a7d10756
silence compiler warning
2023-04-23 17:41:33 -04:00
07de4abc08
refactor and reformat granular submodels
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- use override as needed
- delete default destructors
- make submodel data members protected and add getter functions
- remove unused constants
- import specific functions/constants from namespaces
- remove unused include files
- convert #define constants to static constexpr
- enable and apply clang-format
2023-04-23 17:41:23 -04:00
b9c940926f
silence compiler warnings
2023-04-22 17:50:41 -04:00
ddf801f08f
add missing override properties
2023-04-22 15:10:47 -04:00
c6c470a2c9
compilation fix for Fedora 38 from upstream
2023-04-22 13:04:47 -04:00
94f84409aa
make choice of Sphinx version more conservative
2023-04-22 10:59:12 -04:00
6ca91b01a1
Merge branch 'develop' into collected-small-fixes
2023-04-22 10:59:05 -04:00
601f2bf137
Merge pull request #3747 from rbberger/doc_theme_upgrade
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docs: upgrade lammps_theme based on sphinx_rtd_theme 1.2.0
2023-04-22 10:56:25 -04:00
4c0705a741
Be more specific about web browser support after tests on browserstack.com
2023-04-22 06:15:16 -04:00
2667543e0e
docs: set language to en
2023-04-21 21:45:56 -06:00
f60ed39322
docs: upgrade lammps_theme based on sphinx_rtd_theme 1.2.0
2023-04-21 21:37:58 -06:00
3e05efa1f3
must initialize vest_temp to null to avoid segfaults
2023-04-21 18:13:18 -04:00
7c723b4852
add support for a region keyword to fix edpd/source and fix tdpd/source
2023-04-21 17:58:28 -04:00
77ad4fdac6
must initialize vest_temp to null to avoid segfaults
2023-04-21 17:47:06 -04:00
d1ecb206f6
fix spelling and reformat
2023-04-21 17:46:42 -04:00
4890d820f6
enable and apply clang-format
2023-04-21 12:27:14 -04:00
b7350188a4
use ubuf() to encode/decode tagints into communication buffers
2023-04-21 12:27:02 -04:00
30cdb635c2
modernize
2023-04-21 12:23:35 -04:00
8cfac6fd60
consolidate enum into header file
2023-04-21 12:23:03 -04:00
2197d62c2f
Merge remote-tracking branch 'github/develop' into collected-small-fixes
2023-04-20 20:04:55 -04:00
e6e7121445
Merge pull request #3744 from jtclemm/granular-updates
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Small fixes to GRANULAR
2023-04-20 19:51:52 -04:00
5c8f3a0c95
avoid 32-bit integer overflow when allocating memory for neighbor list copy
2023-04-20 14:42:48 -04:00
6ef6d6f0b2
Fixing group mask bug in gran wall, clean up redundant nullptr assignments
2023-04-20 11:17:24 -06:00
b548a06270
Redefining already used variable name a->A in pair granular doc
2023-04-20 10:19:05 -06:00
c2027d7512
correct logic error when applying group masks
2023-04-20 08:51:09 -04:00
bf32d219d8
fix typo
2023-04-20 08:50:48 -04:00
e99a41158e
Merge pull request #3727 from taylor-a-barnes/taylor
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Small enhancements to the mdi/qm fix
2023-04-19 14:22:11 -04:00
2cf690cc99
fix typo
2023-04-19 13:28:02 -04:00
58be6dcd52
Merge branch 'develop' into taylor
2023-04-19 13:27:36 -04:00
dab02394ce
whitespace
2023-04-19 13:27:29 -04:00
29ad47cc0f
cosmetic changes to comments and code structure
2023-04-19 10:22:10 -06:00
9aa8f1bfb1
Merge pull request #3739 from stanmoore1/kk_hash
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Fix compile error with latest Kokkos `develop` branch
2023-04-19 12:08:53 -04:00
76afaefe45
Merge pull request #3735 from akohlmey/collected-small-changes
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Collected small changes and fixes
2023-04-19 09:50:30 -04:00
040a43b50b
add false positives
2023-04-18 22:01:51 -04:00
a9e715bce8
KOKKOS updates
2023-04-18 22:01:39 -04:00
