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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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49cccd7526
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add example for fix sgcmc
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2022-12-13 16:35:49 -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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dd7a39b702
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add missing entry to table
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2022-12-13 09:22:02 -05:00 |
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62a1cf5a84
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provide backward compatible URLs to reduce 404 errors on www.lammps.org
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2022-12-13 05:28:28 -05:00 |
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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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9beb64236e
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skip gather_bonds test when atom style full is no available
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2022-12-11 17:50:47 -05:00 |
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2f84eac5c5
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add c wrapper to allow testing fortran interface w/o fortran MPI libs
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2022-12-11 17:50:03 -05:00 |
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aed6eb0947
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fix typo
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2022-12-10 09:59:49 -05:00 |
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2421f9098c
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Merge pull request #3517 from akohlmey/document-style-flags
Provide more and updated details about implementing new styles in LAMMPS
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2022-12-10 09:59:01 -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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4a18561005
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Merge pull request #3552 from lammps/kk_min_bug
Fix bug in Kokkos minimize on GPUs
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2022-12-09 19:30:53 -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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f0244255ff
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improve warning message
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2022-12-08 13:35:41 -05:00 |
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34449fc47c
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fix typo and reformat
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2022-12-07 20:41:33 -05:00 |
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4a92316cf2
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improve error message
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2022-12-07 15:02:59 -05:00 |
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739537930d
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use utils::numeric() instead of atof and improve error messages in QEQ package
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2022-12-07 13:35:57 -05:00 |
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92e6c6ea9d
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avoid 32-bit integer overflow for memory allocation
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2022-12-07 13:35:52 -05:00 |
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213a2a21ea
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Merge pull request #3548 from akohlmey/collected-small-changes
Collected small changes and fixes
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2022-12-06 20:13:19 -05:00 |
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77cbd8c1c9
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update .gitignore for renamed source file
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2022-12-05 19:47:08 -05:00 |
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2f8c379e37
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Merge branch 'ml-pod-fixes' into collected-small-changes
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2022-12-05 19:18:03 -05:00 |
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2c6cd42038
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silence compiler warnings about unused function parameters
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2022-12-05 19:17:47 -05:00 |
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92d8994189
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add initializer for podptr
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2022-12-05 18:03:43 -05:00 |
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1fa0b432a4
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avoid making members public
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2022-12-05 18:03:43 -05:00 |
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69d402fa7b
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handle dead code
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2022-12-05 18:03:43 -05:00 |
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20f568e1ae
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avoid division by zero
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2022-12-05 18:03:39 -05:00 |
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f33d7b8fc1
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avoid string copy
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2022-12-05 18:03:28 -05:00 |
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ecf5b5a848
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use call-by-reference to pass datastruct to functions
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2022-12-05 17:30:13 -05:00 |
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080b3b9ccb
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avoid 32-bit integer overflow
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2022-12-05 13:23:12 -05:00 |
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08129bfc00
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Merge branch 'develop' into collected-small-changes
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2022-12-05 12:40:28 -05:00 |
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