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a124ee4f44
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Merge pull request #2233 from charlessievers/OptimizedDynamicalMatrix
Dynamical_matrix and third_order features+update
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2022-01-31 12:57:28 -05:00 |
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dd416f61b5
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Rename function to avoid warning
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2022-01-31 10:47:56 -07:00 |
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cfd720e1fc
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Remove another volatile return type to avoid warning
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2022-01-31 09:58:44 -07:00 |
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5d28d06a3c
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Fix compiler warning
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2022-01-31 09:47:32 -07:00 |
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f537a31c19
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Unify comment style
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2022-01-31 09:25:25 -07:00 |
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5142d8e968
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Merge remote-tracking branch 'origin/develop' into kokkos_cleanup
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2022-01-31 11:04:41 -05:00 |
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9a81dc58a1
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Merge remote-tracking branch 'origin/develop' into kokkos_unittests
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2022-01-31 11:04:18 -05:00 |
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cc9c578006
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Got all the pieces in, now just need to get the right answer
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2022-01-30 15:52:16 -07:00 |
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d80ba0d57a
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Merge branch 'develop' into mpi-stubs-simplify
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2022-01-30 17:19:26 -05:00 |
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3707b327c0
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improve portability of python result value string conversion
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2022-01-30 16:52:38 -05:00 |
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fea41d5458
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make windows compatible
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2022-01-30 16:47:17 -05:00 |
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0f85809acf
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Created branch on athomps/lammps repo
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2022-01-30 12:37:33 -07:00 |
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33be5ff0b4
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allow that the include command may have quoted arguments with variables
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2022-01-29 21:04:59 -05:00 |
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02cadf1b71
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port to windows where text file reading may gobble up carriage returns
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2022-01-29 20:53:17 -05:00 |
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cd5d1f8a30
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reformat
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2022-01-29 18:13:01 -05:00 |
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9323a09b39
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reduce number of reported memory leaks with google test death tests
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2022-01-29 18:12:53 -05:00 |
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7b3adb3f1a
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must always initialize jtag
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2022-01-29 17:09:40 -05:00 |
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ee98f023b6
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enable and apply clang-format
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2022-01-29 08:02:59 -05:00 |
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17960c8183
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use constexpr instead of const
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2022-01-29 07:56:11 -05:00 |
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9427eb800f
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add missing "override"
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2022-01-29 07:55:58 -05:00 |
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c1185acad7
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enable and apply clang-format
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2022-01-29 07:52:06 -05:00 |
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fbecf0051e
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Merge remote-tracking branch 'upstream/develop' into numdiff-stress
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2022-01-28 18:36:27 -07:00 |
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a9481733a0
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Finished debugging, testing, documenting
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2022-01-28 18:34:30 -07:00 |
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c28b7c586a
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Residual Merge Conflict
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2022-01-28 14:59:07 -08:00 |
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6258cf1b9d
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Fixed merge conflict
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2022-01-28 14:49:13 -08:00 |
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e8ce01079d
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whitespace
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2022-01-28 17:20:32 -05:00 |
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f6d0be1257
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avoid integer overflow due to precedence
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2022-01-28 17:08:16 -05:00 |
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96502ae49d
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whitespace
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2022-01-28 17:07:03 -05:00 |
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2a3a7c387b
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Merge pull request #3103 from tc387/CR-update
fixed ewald self-energy update and updated documentation
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2022-01-28 16:37:11 -05:00 |
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e5b129fe8d
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Grow exponentially to resize less
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2022-01-28 13:35:09 -07:00 |
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41c1c64be9
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Merged with deveop branch
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2022-01-28 20:27:38 +00:00 |
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9feec51590
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Merge branch 'develop' of https://github.com/lammps/lammps into reax_count
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2022-01-28 12:32:37 -07:00 |
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d6a6f64576
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Merge pull request #3090 from rbberger/modernize_use_override
Modernize to C++11: use override
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2022-01-28 14:10:45 -05:00 |
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17cb137f3e
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Merge branch 'master' into OptimizedDynamicalMatrix
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2022-01-28 11:08:31 -08:00 |
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bb89347bac
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Fixed kspace issue and added suggested runtime check for intel accelerator
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2022-01-28 11:06:29 -08:00 |
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7aa17fbdf7
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Merge branch 'develop' of github.com:lammps/lammps into reax_count
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2022-01-28 11:58:50 -07:00 |
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d3c45d3389
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Removed whitespace
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2022-01-28 17:58:00 +00:00 |
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ef96b51a25
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Merge branch 'deform-rebuild-rigid' into mpi-stubs-simplify
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2022-01-28 05:44:43 -05:00 |
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ac815fdfba
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use improved accessors for fixes
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2022-01-27 22:16:43 -05:00 |
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e4fe0a37a1
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fixed ewald self-energy update and updated documentation
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2022-01-27 16:48:22 -06:00 |
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0bf941219f
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silence compiler warnings
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2022-01-27 17:21:50 -05:00 |
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d391ae845b
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convert static class members with git info to functions to simplify auto-export on Windows
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2022-01-27 17:20:05 -05:00 |
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265588d480
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Reduce differences between original pair hybrid and kokkos variant
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2022-01-27 16:14:46 -05:00 |
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735d6926a1
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Update to KK tersoff styles for consistent nofdotr
Inspired by f82096c46c
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2022-01-27 14:36:45 -05:00 |
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b3647d8e94
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Add missing override keywords
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2022-01-26 16:16:53 -05:00 |
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415476983d
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Merge branch 'develop' into cg-dna
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2022-01-26 19:31:48 +00:00 |
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d51017ff50
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Merge pull request #3095 from akohlmey/collect-small-changes
Collected small changes and fixes
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2022-01-26 12:04:44 -05:00 |
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d861dbe8e0
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Remove unused variable
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2022-01-26 11:37:53 -05:00 |
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71a373cadb
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reshuffle Body struct members and add dummy for better alignment
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2022-01-26 10:46:19 -05:00 |
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8ca1004c03
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cosmetic. align with clang-format
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2022-01-26 10:45:46 -05:00 |
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