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21c71bf35d
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mention project boards. remove reference to milestones.
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2023-03-16 23:36:13 -04:00 |
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4a7ab34568
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lift restriction to Sphinx version < 6.0, enable jquery extension
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2023-03-16 23:07:18 -04:00 |
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a232915e71
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update example logs for changed granular pair style
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2023-03-16 22:37:58 -04:00 |
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073f21c0d9
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spelling
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2023-03-16 22:35:25 -04:00 |
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c9b383d3f0
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grammar
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2023-03-16 22:18:35 -04:00 |
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e7b7d5804e
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Update URL for EPEL
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2023-03-16 21:23:02 -04:00 |
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08153b7b4d
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trim list of known plumed source packages.
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2023-03-16 21:01:32 -04:00 |
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4e221803b0
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Merge branch 'develop' into collected-small-changes
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2023-03-16 20:53:04 -04:00 |
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7c0fdbe2d9
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Merge pull request #3512 from jtclemm/gran-temp
Refactoring the GRANULAR package
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2023-03-16 20:47:40 -04:00 |
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ea20c934ea
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print warning when using fix efield with a TIP4P pair style
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2023-03-16 18:33:23 -04:00 |
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bf94448843
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simplify and avoid segfault without pair style
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2023-03-16 18:32:54 -04:00 |
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5e6004961d
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Merge branch 'develop' into collected-small-changes
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2023-03-16 18:00:36 -04:00 |
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224b1369a1
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Merge pull request #3685 from akohlmey/more-tip4p-support
Add TIP4P versions for compute dipole, compute dipole/chunk and fix efield
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2023-03-16 17:59:58 -04:00 |
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f1539d0ef5
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silence compiler warnings
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2023-03-16 17:53:58 -04:00 |
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b41d826e0a
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Merge branch 'develop' into gran-temp
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2023-03-16 17:44:36 -04:00 |
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d3a23817f1
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disable purging old wheel files
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2023-03-16 17:25:11 -04:00 |
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4a66389bf1
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purge build folder from within install.py script
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2023-03-16 16:39:34 -04:00 |
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feb1b9e029
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fix whitespace
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2023-03-16 12:55:30 -04:00 |
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180ed2553c
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Merge branch 'develop' into collected-small-changes
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2023-03-16 12:54:48 -04:00 |
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6069e8cb14
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Merge pull request #3684 from jrgissing/encode_improper_symmetries
Encode improper symmetries
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2023-03-16 12:33:15 -04:00 |
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d71a78449a
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fix two bugs in the ndx2group command
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2023-03-16 12:29:51 -04:00 |
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45a3e30f6c
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Merge pull request #3689 from rbberger/cmake_optional_python_install
cmake: remove pip install from install target
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2023-03-16 10:46:15 -04:00 |
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f63befc80f
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consolidate replicated commands to single location
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2023-03-16 10:29:00 -04:00 |
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5c5e7b7e48
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update fix mscg example
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2023-03-16 08:39:23 -04:00 |
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0e3dc6fefa
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Download the latest MSCG snapshot to address bug in library.
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2023-03-16 08:01:26 -04:00 |
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a8c27a2275
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clarify symmatoms convention
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2023-03-15 23:55:13 -04:00 |
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4940bda15f
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remove references to "make install" for Python package installation
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2023-03-15 23:08:46 -04:00 |
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0bf0fd98cc
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explicitly specify central atom
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2023-03-15 21:29:14 -04:00 |
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56f4aaff47
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explicitly specify central atom
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2023-03-15 21:28:05 -04:00 |
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fa9062a87e
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make Force::special_lj and Force::special_coul accessible through the library interface
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2023-03-15 18:39:32 -04:00 |
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32c695a7d4
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tag all TIP4P related pair style tests as unstable
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2023-03-15 12:17:57 -04:00 |
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730e5d2e64
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Merge pull request #3671 from akohlmey/bond-harmonic-restrain
Add new bond style harmonic/restrain
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2023-03-14 16:40:28 -04:00 |
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88c8781396
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silence compiler warnings
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2023-03-14 10:17:20 -04:00 |
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14180774b7
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mention OpenMP support in the GPU library
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2023-03-14 07:00:34 -04:00 |
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d2faf86214
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Merge branch 'develop' into bond-harmonic-restrain
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2023-03-14 00:41:28 -04:00 |
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03454aeefb
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compile GPU library with thread support when BUILD_OMP is enabled
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2023-03-13 23:07:11 -04:00 |
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0e2b2eb266
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Merge branch 'develop' into collected-small-changes
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2023-03-13 22:47:08 -04:00 |
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17f39d9d2c
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rename fix STORE/PERATOM to STORE/ATOM
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2023-03-13 22:33:47 -04:00 |
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e4ad330c2b
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Merge pull request #3675 from wmbrownIntel/mar2023_gpu_misc
Misc Improvements to GPU Package
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2023-03-13 21:43:08 -04:00 |
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1031110d93
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update docs
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2023-03-13 19:55:52 -04:00 |
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ef67f790a2
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whitespace
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2023-03-13 19:43:44 -04:00 |
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3ba37fc954
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Merge branch 'develop' into bond-harmonic-restrain
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2023-03-13 19:43:16 -04:00 |
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c369c0252f
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fix issues with changes in fix STORE/PERATOM
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2023-03-13 19:43:08 -04:00 |
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92302d0f22
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Merge branch 'develop' into mar2023_gpu_misc
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2023-03-13 19:02:20 -04:00 |
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3815c0ef76
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modify fix STORE/PERATOM and callers to allow ghost comm
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2023-03-13 17:00:54 -06:00 |
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2d8936068e
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Merge pull request #3679 from ndtrung81/dielectric-bugfixes
Dielectric package doc update and bugfix
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2023-03-13 18:27:50 -04:00 |
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6bec23e7db
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Merge pull request #3668 from evoyiatzis/master
Implementation of analytical expressions for Born matrix
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2023-03-13 17:19:05 -04:00 |
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21293f1c08
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update links and hashes for new plumed2 releases
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2023-03-13 12:10:41 -04:00 |
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a8c1359c54
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make energy handling consistent for variable field
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2023-03-11 18:56:29 -05:00 |
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251fac2c60
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add unit tests for fix efield/tip4p
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2023-03-11 18:43:46 -05:00 |
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