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9c84fe8830
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Add missing lammps_extract_compute.argtypes
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2020-08-27 17:47:49 -04:00 |
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d7e2be1c81
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Start Python interface tests for numpy extensions
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2020-08-27 17:47:49 -04:00 |
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0b8136a38b
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Add extract_compute, extract_fix, and extract_variable to lammps.numpy
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2020-08-27 17:47:49 -04:00 |
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a216d3f5f5
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Fix typo
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2020-08-27 17:47:49 -04:00 |
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26d09ea648
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Use datatype constants instead of magic numbers
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2020-08-27 17:47:49 -04:00 |
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b1fae04751
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use consistent style when referencing packages
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2020-08-27 17:44:49 -04:00 |
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7b4891a9a3
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document the behavior of the gauss pair style to ignore special bond factors
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2020-08-27 17:41:43 -04:00 |
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fa13e23f7a
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add atomic test for gauss pair style
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2020-08-27 17:41:25 -04:00 |
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fdb726629f
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revert "fix" for pair style beck/gpu and correct beck and beck/omp instead
we should consistently apply factor_lj for both, force and energy, or not
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2020-08-27 17:14:05 -04:00 |
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a4f1be8fe3
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Merge branch 'master' into gpu-bugfix
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2020-08-27 17:05:26 -04:00 |
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a54f99f774
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Merge pull request #2315 from lammps/peri-doc-page
fix two typos on pair peri doc page
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2020-08-27 17:00:06 -04:00 |
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de4bf77757
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two typos on pair peri doc page
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2020-08-27 13:32:27 -06:00 |
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32aede7769
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minor doc clarification
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2020-08-27 14:53:09 -04:00 |
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ab90493e5b
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bond/react: RMSD, remove debugging statements
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2020-08-27 14:45:42 -04:00 |
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0d8baff7a9
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Rename LAMMPS_DBLE2D to LAMMPS_DOUBLE2D
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2020-08-27 14:03:17 -04:00 |
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2f629db3d4
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Refactor Zstd dump styles
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2020-08-27 13:43:36 -04:00 |
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5c0edeb679
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namespace clarify
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2020-08-27 12:43:28 -04:00 |
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977a89e537
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add separators
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2020-08-27 12:33:03 -04:00 |
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794e74e064
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return of the lost enum
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2020-08-27 12:22:48 -04:00 |
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91554d6287
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move RMSD files to new reaction package
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2020-08-27 12:13:07 -04:00 |
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ce2b128cf9
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Merge branch 'lammps-master' into bond/react-RMSD_constraint
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2020-08-27 12:04:09 -04:00 |
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583a09c808
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Merge branch 'master' of https://github.com/lammps/lammps into lammps-master
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2020-08-27 12:02:08 -04:00 |
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bc49e854ba
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bond/react RMSD constraint: manual rebase
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2020-08-27 11:53:19 -04:00 |
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e4e15157f8
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Fixed bugs in the GPU kernels of pair styles beck/gpu and gauss/gpu involving factor_lj
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2020-08-26 23:41:00 -05:00 |
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f314b7e54f
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update format from enumerate to itemize and start next subsection
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2020-08-26 23:05:59 -04:00 |
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6a68743e54
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transfer a chunk of text from Developer.tex to the manual.
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2020-08-26 22:46:55 -04:00 |
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ced78a72eb
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Add dump custom/zstd and tests
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2020-08-26 19:59:28 -04:00 |
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e9fd8b3ec6
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Migrate changes to dump custom/gz and add tests
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2020-08-26 19:44:55 -04:00 |
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096cef40a8
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remove redundant use of \brief
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2020-08-26 19:44:23 -04:00 |
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55829752c9
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Merge branch 'master' into library-refactor
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2020-08-26 19:08:09 -04:00 |
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2f1086dfe4
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Merge branch 'python-refactor' into library-refactor
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2020-08-26 19:07:44 -04:00 |
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85764b3774
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replace a few more c++-style comments with old-fashion c-style comments
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2020-08-26 19:07:29 -04:00 |
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1ad82d7cdb
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add separator comment lines
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2020-08-26 19:07:08 -04:00 |
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dbf51af7d1
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Fixes segfault due to uninitialized pointers
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2020-08-26 18:41:32 -04:00 |
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78a1b92503
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Add dump atom zstd tests
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2020-08-26 16:35:35 -04:00 |
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007a43a5b2
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Add more atom/gz tests
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2020-08-26 16:20:02 -04:00 |
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32aa35009b
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Start tests for compressed dump styles
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2020-08-26 16:04:19 -04:00 |
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046fd3d14b
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Verify valid compression level ranges
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2020-08-26 16:03:18 -04:00 |
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d00807ee9a
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Merge pull request #2311 from stanmoore1/kk_update_3.2
Update Kokkos library in LAMMPS to v3.2
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2020-08-26 15:35:25 -04:00 |
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aeb3e20385
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Merge pull request #2307 from Vsevak/zbl_reduce_declaration
Fix NaN in GPU-accelerated Tersoff styles with OpenCL backend
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2020-08-26 13:56:49 -04:00 |
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629ead6348
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Merge pull request #2309 from lammps/doxygen-integration
Add doxygen and graphviz processing into the documentation build
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2020-08-26 13:05:00 -04:00 |
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50b8b1bf60
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Fix Kokkos HIP compile error
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2020-08-26 11:45:24 -05:00 |
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94db627ba5
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fix formatting issue
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2020-08-26 12:09:43 -04:00 |
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b4403de026
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add false positive
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2020-08-26 12:09:35 -04:00 |
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d40b658644
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cmake: update kokkos version/checksum
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2020-08-26 10:05:14 -06:00 |
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8137ada848
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Merge branch 'collected-small-changes' into doxygen-integration
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2020-08-26 11:51:45 -04:00 |
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bdc952ac88
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Merge branch 'master' into collected-small-changes
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2020-08-26 11:51:05 -04:00 |
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f89a0f9fe3
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must not try to delete computes if they have not been created and their ids not yet set
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2020-08-26 11:50:20 -04:00 |
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c8af729701
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Merge branch 'master' into collected-small-changes
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2020-08-26 11:49:29 -04:00 |
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4ad68c98a0
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Merge pull request #2196 from jibril-b-coulibaly/mindlin_rescale
Implement force history in Mindlin granular pair styles
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2020-08-26 11:42:06 -04:00 |
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