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e73158bd7e
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whitespace/formatting
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2022-01-20 16:56:12 -05:00 |
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4104353d7a
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plug memory leak
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2022-01-20 16:55:59 -05:00 |
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49dca516ea
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simplify API of Force::store_style()
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2022-01-20 16:48:44 -05:00 |
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7c9b0c1e8e
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Apply override to more core classes
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2022-01-20 16:43:04 -05:00 |
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5c62dc0986
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Apply override to Comm classes
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2022-01-20 16:39:36 -05:00 |
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c9776dad6f
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Apply override to Command classes
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2022-01-20 16:35:59 -05:00 |
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dbe267cb88
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join lines, whitespace
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2022-01-20 16:04:26 -05:00 |
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0b24c5b498
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workaround for segfaults due to NULL pointer dereference with hybrid styles
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2022-01-20 16:04:07 -05:00 |
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06cb86dfb9
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Apply override to NTopo classes
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2022-01-20 15:53:01 -05:00 |
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7aaa85c3a1
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Apply override to NBin classes
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2022-01-20 15:44:16 -05:00 |
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32a19d982a
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Apply override to NStencil classes
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2022-01-20 15:37:15 -05:00 |
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222ea31d8d
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Remove override = default destructor lines
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2022-01-20 15:28:47 -05:00 |
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7ee3171d16
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Apply override to NPair classes
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2022-01-19 21:51:21 -05:00 |
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b45a6d7720
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Apply override to AtomVec classes
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2022-01-19 17:31:41 -05:00 |
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a0e2a617e0
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Merge pull request #3092 from stanmoore1/kk_makefiles
Small tweaks to Kokkos Files
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2022-01-19 16:06:42 -05:00 |
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9d8394fe63
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Apply override to text_file_reader.h
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2022-01-19 14:45:32 -05:00 |
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c166549c74
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Apply override to KOKKOS classes up to this point
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2022-01-19 14:26:25 -05:00 |
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b8d4030983
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Update more core class destructors
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2022-01-19 13:27:08 -05:00 |
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e283bfa1fa
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Apply override to Minimize classes
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2022-01-19 13:23:28 -05:00 |
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b7dc1d9dd6
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Merge pull request #3091 from akohlmey/more-parsing-refactor
More file parsing refactoring
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2022-01-19 12:41:13 -05:00 |
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6e8d9cb532
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Port bugfix in Kokkos
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2022-01-19 10:27:02 -07:00 |
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0a8cbcef2b
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Add -DNDEBUG to Kokkos Makefiles
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2022-01-19 10:19:50 -07:00 |
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0a89e5bd24
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Remove non-ASCII chars
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2022-01-19 10:18:25 -07:00 |
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4f0cde40fd
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White no longer exists
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2022-01-19 10:16:53 -07:00 |
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4cd5c40374
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Merge pull request #3089 from akohlmey/collected-small-changes
Collected small changes and fixes
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2022-01-19 11:44:33 -05:00 |
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7573e60a1e
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Merge branch 'collected-small-changes' of github.com:akohlmey/lammps into collected-small-changes
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2022-01-19 10:21:12 -05:00 |
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c85cdb2732
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always fall back to using the .so extension if available in the LAMMPS module folder
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2022-01-19 10:11:16 -05:00 |
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7676f66674
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modernize potential file parsing
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2022-01-19 06:29:27 -05:00 |
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f5ad91f9fe
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minor tweaks
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2022-01-19 06:28:53 -05:00 |
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0595e4d7cd
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refactor parsing of pair style list parameter file
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2022-01-19 00:24:01 -05:00 |
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c4c3b545b2
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modernize fix gle matrix file reading
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2022-01-18 19:55:50 -05:00 |
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e22f62f6db
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add some metadata for fix gle matrix files
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2022-01-18 19:55:30 -05:00 |
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b890b564ca
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modernize electron stopping file reader
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2022-01-18 16:48:26 -05:00 |
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ef13455d6b
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add some metadata tags
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2022-01-18 16:48:07 -05:00 |
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0099d2584b
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Apply override to Integrator classes
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2022-01-18 15:17:04 -05:00 |
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778879a0eb
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Apply override to Body classes
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2022-01-18 14:56:44 -05:00 |
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1792b3b0cf
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Apply override to Reader classes
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2022-01-18 14:39:31 -05:00 |
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d19f799585
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Apply override to Region classes
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2022-01-18 14:31:29 -05:00 |
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576f2266ae
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Mark virtual destructors in derived as override
Following C++ Core Guideline C.128
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2022-01-18 14:28:25 -05:00 |
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be7e6d0939
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Avoid std::string copies
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2022-01-18 13:22:55 -05:00 |
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38bcc493b0
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simplify and modernize CMAP file parser
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2022-01-18 10:28:40 -05:00 |
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389c35a2d3
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use alternate method to create triclinic box for unit test
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2022-01-18 09:09:37 -05:00 |
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1c8f427e8a
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detect when MSM::setup() is called before proper initialization and error out
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2022-01-18 09:09:19 -05:00 |
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29b5c2659c
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source code formatting
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2022-01-18 09:04:04 -05:00 |
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c1f7685c98
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Revert "before changing box settings, it must be initialized at least once"
Looking for alternate solution since this change has
too many unwanted side effects.
This reverts commit 2e85233b11.
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2022-01-18 08:30:54 -05:00 |
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2e85233b11
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before changing box settings, it must be initialized at least once
otherwise change_box would not really be needed,
but commands like boundary can (still) be used
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2022-01-18 07:20:28 -05:00 |
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752552e0f8
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remove duplicate code
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2022-01-18 06:39:20 -05:00 |
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a02e11040d
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whitespace
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2022-01-18 06:34:57 -05:00 |
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f0f4a8e6dc
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plug some memory leaks in MSM kspace style(s)
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2022-01-18 06:01:32 -05:00 |
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241a44f1af
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another workaround for rerun
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2022-01-18 04:56:47 -05:00 |
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