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111faa758d
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Merge branch 'develop' into collected-small-changes
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2022-12-16 18:25:12 -05:00 |
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c421a445bd
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Small cleanup, docs
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2022-12-16 15:18:57 -07:00 |
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6833bed347
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Merge branch 'develop' of github.com:lammps/lammps into fix_viscous_kokkos
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2022-12-16 14:35:16 -07:00 |
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b649b9e963
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remove dead code
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2022-12-15 22:56:58 -05:00 |
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ed248d1a6a
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enforce initialization of data
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2022-12-15 16:27:00 -05:00 |
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2e4f419e19
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Merge pull request #3538 from akohlmey/strip-style-suffix
Remove suffix from style names when writing restart files
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2022-12-14 20:53:56 -05:00 |
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bbaa2cbf3c
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Merge pull request #3558 from jtclemm/BPM
Small patch to BPM package
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2022-12-14 18:24:47 -05:00 |
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60a4ef5c71
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Merge pull request #3556 from lammps/add-user-vcsgc
Add streamlined version of fix sgcmc from USER-VCSGC package
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2022-12-14 17:24:58 -05:00 |
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88cc0b646a
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Fix memory leak in Kokkos fix shake
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2022-12-14 15:05:27 -07:00 |
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9b3cc46ccf
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add override keyword
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2022-12-14 16:15:24 -05:00 |
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b60a6e796e
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Ensuring data is updated before writing restarts
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2022-12-14 14:14:43 -07:00 |
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85ed8edfcb
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Prevent double free of CPU memory
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2022-12-14 13:58:10 -07:00 |
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3268687391
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Removing unnecessary clears in update special fix
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2022-12-14 13:39:19 -07:00 |
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d2c77f1d0c
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small tweaks from @athomps
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2022-12-14 15:19:07 -05:00 |
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babec093ca
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Merge branch 'develop' into strip-style-suffix
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2022-12-14 13:45:59 -05:00 |
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13e5b12f21
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Merge pull request #3555 from stanmoore1/kk_atom_vec
Refactor Kokkos `AtomVec`
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2022-12-14 13:43:07 -05:00 |
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08a257c361
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small IWYU fix
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2022-12-13 20:55:53 -05:00 |
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cf0a16a33c
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remove comments for known functions
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2022-12-13 20:42:19 -05:00 |
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fdb9a75714
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programming style updates
- partially enable clang-format
- reindent
- update parsing of numeric arguments
- update handling of error messages
- add blank after "if", "for", "while" where needed
- silence compiler warnings
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2022-12-13 20:36:12 -05:00 |
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df12232e24
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Merge branch 'develop' into add-user-vcsgc
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2022-12-13 18:31:01 -05:00 |
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fe7b489149
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Merge pull request #3550 from akohlmey/collected-small-changes
Collected small changes and fixes
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2022-12-13 18:26:28 -05:00 |
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b2b21540bf
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import docs for fix sgcmc
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2022-12-13 17:07:43 -05:00 |
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998f41b8f4
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fix typo
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2022-12-13 16:39:18 -05:00 |
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88ac09a8c0
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build system support: fix sgcmc may only be compiled if EAM is available
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2022-12-13 16:35:19 -05:00 |
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b76e645182
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remove optional code
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2022-12-13 16:14:29 -05:00 |
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630b770f80
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rename files
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2022-12-13 15:58:16 -05:00 |
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422b9999f5
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add lammps copyright headers
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2022-12-13 15:56:42 -05:00 |
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1440ff7b16
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import fix sgcmc code from lammps-plugin repo
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2022-12-13 15:50:21 -05:00 |
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77dea685b5
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Small cleanup
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2022-12-13 12:10:56 -07:00 |
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bd2001578b
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Remove more redundant variables
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2022-12-13 10:56:56 -07:00 |
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a94ec5fdf7
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Remove redundant variables
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2022-12-13 10:20:12 -07:00 |
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d7742412b3
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must use dynamic cast due to virtual inheritance
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2022-12-12 20:37:53 -05:00 |
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3b2376d0bb
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use virtual inheritance consistently for all atom styles
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2022-12-12 20:37:30 -05:00 |
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6d8e7e1ece
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Refactor Kokkos AtomVec
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2022-12-12 17:34:18 -07:00 |
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4458c36676
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some more dead code removed that was detected by clang 15
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2022-12-12 09:45:55 -05:00 |
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79ab63a33c
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a few more IWYU updates
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2022-12-12 09:45:29 -05:00 |
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ebcb702e95
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remove dead code detected by clang 15
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2022-12-12 07:07:06 -05:00 |
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b30ce3ff32
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next round of IWYU updates
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2022-12-12 01:07:46 -05:00 |
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01a54723d7
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more iwyu updates
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2022-12-11 23:40:31 -05:00 |
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302bec9de4
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stay compatible with older C++ compilers
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2022-12-11 22:58:54 -05:00 |
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a3c0be875e
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include-what-you-use updates
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2022-12-11 22:46:54 -05:00 |
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e0792d3a62
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apply code changes suggested by clang-tidy
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2022-12-11 18:44:50 -05:00 |
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07bb7b3195
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fix up kim unit tests broken by recent changes
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2022-12-09 19:56:45 -05:00 |
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34f44daef5
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some small programming style updates
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2022-12-09 16:56:50 -05:00 |
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b0accb4ebf
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replace atoi() with suitable utility functions
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2022-12-09 16:56:17 -05:00 |
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f24cb96517
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use utils::numeric() instead of atof(), improve error messages
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2022-12-09 16:29:32 -05:00 |
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5e2a8beb4a
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Fix bug in Kokkos minimize on GPUs
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2022-12-09 14:28:26 -07:00 |
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f6d6e1ef01
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remove workaround that is no longer needed
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2022-12-09 16:23:10 -05:00 |
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3ab2651851
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must add const attribute to method
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2022-12-09 00:41:23 -05:00 |
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4aaf003fb1
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fix minor issues reported by coverity scan, re-apply clang-format
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2022-12-08 23:59:42 -05:00 |
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