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ab5a1f229e
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Merge pull request #2538 from akohlmey/next-patch-release
Step version strings for the next patch release
patch_24Dec2020
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2020-12-24 10:30:13 -05:00 |
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ddeae8a3ba
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step version string one more time
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2020-12-23 20:15:52 -05:00 |
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fb1cc56b2b
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Merge pull request #2542 from akohlmey/plumed-update-to-2.7
Add support plumed2 library version 2.7.0
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2020-12-23 19:06:44 -05:00 |
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41d6648ac9
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Merge pull request #2504 from jrgissing/bond/react-add-logic-to-constraints
Bond/react: add logic to constraints
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2020-12-23 15:39:30 -05:00 |
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8e6b89cc81
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fix multiplication issue in shake stats
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2020-12-23 15:14:00 -05:00 |
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c6fb9c3836
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update supported version test in fix plumed for new version
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2020-12-23 15:13:38 -05:00 |
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78a20a988e
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add support for plumed version 2.7.0 and make it default
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2020-12-23 14:23:39 -05:00 |
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06d7e5ab02
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Merge pull request #2533 from akohlmey/pair-only-suffix
Add pair/only option for accelerator styles
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2020-12-23 12:30:39 -05:00 |
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181ff5298f
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Merge pull request #2483 from z-gong/tgnh
Temperature-grouped Nose-Hoover thermostat for Drude polarizable model
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2020-12-23 11:39:33 -05:00 |
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37063ab61f
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Small tweaks
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2020-12-23 09:22:27 -07:00 |
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ddfa5c3e87
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document pair/only keyword to package command
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2020-12-23 10:09:54 -05:00 |
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5aed28359b
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Merge pull request #2539 from lammps/doc-developer-notes
new Developer_notes doc page
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2020-12-23 09:32:35 -05:00 |
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6fd7d584c2
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move release date
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2020-12-23 01:05:52 -05:00 |
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acd48f7553
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Merge pull request #2517 from stanmoore1/kk_roundup
Fix Kokkos performance regression for small systems
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2020-12-23 01:04:08 -05:00 |
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2962fa561d
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Revert comm flags if pair/only is turned off
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2020-12-22 21:08:07 -07:00 |
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a02471967b
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Tweak DELTA constant
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2020-12-22 16:08:21 -07:00 |
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7a934eac37
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use constexpr instead of define for better typechecking
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2020-12-22 10:40:28 -05:00 |
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d07cf22ac5
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use parsed-literal sections to reduce spellchecking variable names
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2020-12-22 10:25:40 -05:00 |
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ce24d70ccc
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Add comments about smaller DELTA in atom_vec_kokkos.cpp
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2020-12-22 08:15:51 -07:00 |
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f9dd28dbbe
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Merge branch 'master' of github.com:lammps/lammps into kk_roundup
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2020-12-22 08:11:57 -07:00 |
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75eadabaf0
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change ordering of sub sections
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2020-12-22 08:02:28 -07:00 |
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a1c5ed93ab
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new Developer_notes doc page
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2020-12-21 17:13:32 -07:00 |
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7c7f13faf5
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step version strings for the next LAMMPS release
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2020-12-21 10:21:53 -05:00 |
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8678e82a82
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Merge pull request #2530 from akohlmey/collected-small-changes
Collected small changes and bugfixes for the next patch release
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2020-12-21 10:04:33 -05:00 |
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800ff0f1c2
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update spelling/grammar and false positives
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2020-12-20 15:02:59 -05:00 |
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24e2166357
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add missing references
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2020-12-20 15:02:01 -05:00 |
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2e33887d0b
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Merge branch 'master' into tgnh
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2020-12-20 14:48:49 -05:00 |
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a13f70790a
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spelling
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2020-12-18 23:02:28 -05:00 |
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151110f07f
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refactor constant vs define in edip pair styles
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2020-12-18 22:55:15 -05:00 |
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2022dc0aa9
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whitespace fixes
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2020-12-18 22:45:26 -05:00 |
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9f206b471e
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Merge branch 'master' into collected-small-changes
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2020-12-18 22:41:27 -05:00 |
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09028b27d4
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Merge pull request #2423 from jtclemm/multi_ishan
Extend multi style neighbor lists to finite-sized particles
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2020-12-18 22:39:01 -05:00 |
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384376bc51
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increase precision of lj/cubic constants and document how to compute them
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2020-12-18 22:33:56 -05:00 |
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71e340a792
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Adding multi+granular note in neighbor documentation
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2020-12-18 17:56:51 -07:00 |
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3641428d27
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Merge pull request #2502 from jdevemy/master
Fix invalid result when dihedral quadratic angle is > pi or < -pi
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2020-12-18 14:38:04 -05:00 |
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959f67962d
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allow to revert the pair/only setting
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2020-12-17 22:59:12 -05:00 |
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96fa85f61c
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alternate implementation of pair/only option (for KOKKOS and GPU)
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2020-12-17 22:39:36 -05:00 |
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de94e28c8b
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correct path to find liblammps.dll with Windows installer package
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2020-12-17 21:48:04 -05:00 |
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f6fa564ef2
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whitespace
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2020-12-17 17:43:04 -05:00 |
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6035c53bb7
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Merge branch 'master' into collected-small-changes
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2020-12-17 17:41:46 -05:00 |
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79833f9b83
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Merge pull request #2521 from rbberger/python_package
Turn LAMMPS Python module into Python package
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2020-12-17 17:06:03 -05:00 |
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09023edc98
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small python installation docs update
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2020-12-17 16:41:18 -05:00 |
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3e2b004d21
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more use of constexpr
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2020-12-17 16:01:26 -05:00 |
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2426e6245d
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move static constants in pair style out of the globally included header
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2020-12-17 14:03:15 -05:00 |
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a403e209d3
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use C++11 constexpr instead of C++98 const.
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2020-12-17 13:00:51 -05:00 |
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72f68f3d56
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consolidate multiple factorial() function definitions into MathSpecial::factorial()
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2020-12-17 12:47:04 -05:00 |
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511a1a5395
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Update comments mentioning lammps.py
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2020-12-17 12:13:06 -05:00 |
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bcb89a1d90
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Honor DESTDIR for packaging
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2020-12-17 12:13:06 -05:00 |
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47cdafe651
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reduce size of executable/library by replacing static const int with enum
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2020-12-17 12:06:44 -05:00 |
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f9f9c37bd2
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Update docs
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2020-12-17 11:57:40 -05:00 |
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