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5257b8d280
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split off the programming/submission style guide to a separate file
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2021-08-29 22:00:05 -04:00 |
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afc65993d0
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clarify
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2021-08-29 21:43:13 -04:00 |
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be3348be86
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update for clang-format
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2021-08-29 21:42:59 -04:00 |
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518b2c24f2
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use the term 'website' consistently (and not also 'web site')
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2021-08-29 21:42:49 -04:00 |
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4d1a6cbd73
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Merge pull request #2904 from lammps/memory-null
force all memory methods to return nullptr if requested size <= 0
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2021-08-27 16:59:04 -04:00 |
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3e058b734b
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Merge pull request #2887 from jrgissing/bond-react-fixes
Bond react fixes
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2021-08-27 16:58:33 -04:00 |
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cc69431dd3
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Merge pull request #2897 from dxhisboy/master
Correcting non-fdotr Virial tensor computation for interlayer potentials
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2021-08-27 16:54:56 -04:00 |
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1795e1530f
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Merge pull request #2896 from akohlmey/collected-small-changes
Collected changes and updates for the next patch release
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2021-08-27 15:58:05 -04:00 |
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a58e4fc876
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whitespace
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2021-08-27 14:59:26 -04:00 |
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4eef3eaac6
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Merge branch 'master' into collected-small-changes
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2021-08-27 14:58:42 -04:00 |
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4be33df8fb
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relax force test epsilon values a little for cross-platform tests
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2021-08-27 14:57:31 -04:00 |
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e363b4aeff
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Merge pull request #2905 from weinbe2/fea-snap-large-system
Kokkos SNAP large system optimizations and cleanup
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2021-08-27 14:23:37 -04:00 |
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9658d1d983
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Bump up the default chunksize in SNAP and update the docs
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2021-08-27 12:34:19 -04:00 |
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6ab951fedc
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only change functions known to break with zero-length
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2021-08-27 10:28:40 -06:00 |
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2387e12464
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Merge pull request #2893 from lammps/doc-intro-updates
Update Intro section of LAMMPS Manual for stable release
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2021-08-27 12:09:10 -04:00 |
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4089d7757d
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error->one to error->all corrections
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2021-08-27 11:24:04 -04:00 |
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89b4cc9498
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Remove comment
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2021-08-27 11:03:54 -04:00 |
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aa9f337ef5
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Small tweak to docs
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2021-08-27 10:47:11 -04:00 |
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27cabbf734
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Add missing variable
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2021-08-27 10:38:47 -04:00 |
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ecba2d8489
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Update doc page
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2021-08-27 10:33:18 -04:00 |
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1970ede534
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Add user-settable threshold for extra parallelism
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2021-08-27 10:22:10 -04:00 |
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cfaa3040ed
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add a comment explaining the restriction to C and H elements in AIREBO/REBO
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2021-08-27 10:02:53 -04:00 |
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7ac2c0c66e
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refactor custom constraint
evaluates per-atom variables once, and correctly communicates values to ghosts
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2021-08-26 23:00:15 -04:00 |
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8c96f1a14b
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Merge branch 'collected-small-changes' of github.com:akohlmey/lammps into collected-small-changes
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2021-08-26 22:56:08 -04:00 |
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a686ce33c6
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Added less-parallelism-higher-perf paths to recursive polynomial routines. Fixed qSNAP memory coalescing issue. Various modularity improvements.
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2021-08-26 22:55:07 -04:00 |
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bbb3f35aa3
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"int64_t" is defined in stdint.h; must use "long" in OpenCL kernels instead
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2021-08-26 22:46:08 -04:00 |
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fc6b17b82a
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improve whitespace handling
previously, spaces inside of custom 'rxn' functions could cause issues
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2021-08-26 22:28:44 -04:00 |
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42a3a7d10f
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Merge branch 'master' into collected-small-changes
# Conflicts:
# src/fix_property_atom.cpp
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2021-08-26 21:14:23 -04:00 |
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a587f67423
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Merge pull request #2903 from lammps/fix-property-tweak
Fix property/atom tweak
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2021-08-26 20:07:13 -04:00 |
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21b017368b
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force all memory methods to return nullptr if requested size <= 0
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2021-08-26 15:43:12 -06:00 |
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ab8c9851b2
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change style to styles to remove override of fix->style string
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2021-08-26 15:20:52 -06:00 |
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6fea5dd316
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avoid creating empty per atom position arrays for enforcing pbc for dumps
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2021-08-26 16:16:30 -04:00 |
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0d8c58db02
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synchronize DomainOMP::pbc() code with Domain::pbc()
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2021-08-26 07:41:57 -04:00 |
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a7f4bbffcf
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avoid segfault when trying to apply (strict) pbc or convert to/from fractional coordinates on an MPI rank without atoms
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2021-08-26 07:10:47 -04:00 |
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84896fc7d4
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add building micelle2d.x
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2021-08-26 06:36:27 -04:00 |
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e20d66ac19
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avoid module name conflict
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2021-08-26 06:36:17 -04:00 |
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49a81d6fba
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silence compiler warnings
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2021-08-26 06:30:16 -04:00 |
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c7357d5731
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Merge remote-tracking branch 'github/master' into collected-small-changes
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2021-08-26 05:30:50 -04:00 |
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6fcd4c0e30
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Merge remote-tracking branch 'github/master' into doc-intro-updates
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2021-08-26 05:29:53 -04:00 |
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e3af1544f1
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Merge pull request #2804 from Vsevak/tip4p_fix_types
Fix atom types handling in the tip4p/gpu kernels
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2021-08-26 01:08:19 -04:00 |
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1d33bd1264
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whitespace
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2021-08-26 01:05:25 -04:00 |
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484f2f4c95
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must exclude two more folders from whitespace checking
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2021-08-26 01:05:14 -04:00 |
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acf80f5c89
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Merge branch 'master' into doc-intro-updates
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2021-08-26 01:03:25 -04:00 |
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2845269bdb
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use MBytes consistently
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2021-08-26 01:00:08 -04:00 |
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0aded3931b
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convert to Fortran 2003
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2021-08-26 00:37:25 -04:00 |
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4b707b8684
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small tweak
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2021-08-26 00:35:43 -04:00 |
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f13fe138cc
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apply clang-format
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2021-08-26 00:35:31 -04:00 |
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9dd1dcab30
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remove call to non-portable FDATE() function (a GNU Fortran extension)
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2021-08-25 23:56:20 -04:00 |
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61855c5058
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apply whitespace checking/fixing also to free-format Fortran files
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2021-08-25 23:46:48 -04:00 |
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45e599cb33
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modernize Fortran
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2021-08-25 23:42:07 -04:00 |
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