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93b96f7cbf
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Merge branch 'develop' into reaxff-species-delete-rate
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2023-01-25 05:31:04 -05:00 |
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6c63d7dcb9
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single precision FFTs are now supported on the CPU
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2023-01-24 22:54:47 -05:00 |
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b17689af6b
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doc fixes
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2023-01-24 21:28:08 -05:00 |
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64b5ad8966
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Merge branch 'develop' into amoeba-gpu
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2023-01-24 20:22:59 -05:00 |
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ab83b31ce2
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Document changes
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2023-01-24 13:05:47 -07:00 |
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8b897e1fed
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fix spelling errors
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2023-01-23 17:46:33 -05:00 |
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1e9d6def77
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Update Developer_grid.rst
Fixed butchered sentence.
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2023-01-23 14:58:00 -07:00 |
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27da716852
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getting out of the insurance business :-)
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2023-01-23 16:45:41 -05:00 |
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379c88b5af
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Merge branch 'develop' into collected-small-changes
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2023-01-23 11:52:06 -05:00 |
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39f776ae86
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some more languagtool.org suggested updates
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2023-01-23 05:15:34 -05:00 |
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658328dd9d
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Added a note in the amoeba doc page on the not-yet resolved issue with integrated GPUs, removed commented out and debugging stuffs in the AM/HP kernels
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2023-01-22 17:24:15 -06:00 |
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c06470ca33
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more revisions based on suggestions from languagetool.org
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2023-01-22 16:53:39 -05:00 |
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f65f79ef82
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revise based on suggestions from languagetool.org
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2023-01-22 09:50:27 -05:00 |
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57349b042e
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one more pass at revising the introductory pages of the LAMMPS manual
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2023-01-21 16:23:23 -05:00 |
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a95f6d7aa0
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update header
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2023-01-21 11:19:04 -05:00 |
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671b2b80fc
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fix typo
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2023-01-21 07:59:09 -05:00 |
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49b354bb6a
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small update for Installation overview
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2023-01-21 04:24:04 -05:00 |
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3f34f54847
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add page about portability
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2023-01-20 23:40:41 -05:00 |
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ca1a8eb933
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clarify, mention versionadd/changed markers
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2023-01-20 22:50:39 -05:00 |
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aab02da72d
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remove obsolete links, links to point back to the manual, updates
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2023-01-20 22:50:18 -05:00 |
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29689d6902
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some more updates for LAMMPS features
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2023-01-20 22:49:44 -05:00 |
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e2773ea3d2
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some updates
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2023-01-20 22:48:36 -05:00 |
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7ce59e775a
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Minor tweaks to potentials
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2023-01-20 18:43:36 -07:00 |
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694b1b5748
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remove Fortran library based MESONT styles and the library itself
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2023-01-20 19:12:42 -05:00 |
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fd48702797
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update some overview doc pages
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2023-01-20 19:05:13 -05:00 |
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ef692258b4
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Merge pull request #3532 from stanmoore1/kk_occupancy
Update Kokkos version in LAMMPS to 3.7.1
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2023-01-20 17:52:05 -05:00 |
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13d4344999
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Merge branch 'develop' of github.com:lammps/lammps into kk_occupancy
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2023-01-20 07:32:46 -07:00 |
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bebf79ec92
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reaxff species delete_rate_limit keyword docs
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2023-01-20 00:41:56 -05:00 |
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3ae2805316
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add option variable to CMake build to select GPU library debug
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2023-01-19 07:06:29 -05:00 |
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4d7a5fb225
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support two modes of QMMM coupling
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2023-01-18 16:19:19 -07:00 |
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62d5ffd5c9
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add versionadded not to fix reaxff/species delete keyword
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2023-01-18 16:06:01 -05:00 |
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79cadef4ba
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Re-running CMake is now automatic for almost anybody.
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2023-01-18 16:06:01 -05:00 |
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0fd665c6f3
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reformat
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2023-01-16 21:39:07 -05:00 |
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f8cbc777ce
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minor typo and rewording
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2023-01-17 11:04:34 +10:00 |
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503c51c070
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whitespace
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2023-01-16 08:37:52 -05:00 |
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a8d0f94a5a
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small clean up
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2023-01-16 14:21:31 +01:00 |
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07da78dfe8
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Documentation update after suggestions of @athomps
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2023-01-16 14:12:52 +01:00 |
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62c010a7de
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add note to insert LAMMPS version when GPU acceleration was added
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2023-01-15 18:11:33 -05:00 |
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88e1ce3379
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flag GPU acceleration
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2023-01-15 17:42:16 -05:00 |
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d5b878d047
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Updated the doc page of amoeba/hippo styles to indicate that their gpu versions are supported
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2023-01-15 15:56:40 -06:00 |
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e1a8a70a6c
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replace individual *verbose* / *terse* keywords with *verbosity* setting
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2023-01-14 07:06:26 -05:00 |
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102934565e
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Merge branch 'develop' into energy_spacing_neb
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2023-01-14 06:57:48 -05:00 |
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24fec6bdbd
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Merge pull request #3592 from akohlmey/collected-small-changes
Collected small changes and fixes for the next patch release
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2023-01-14 00:44:48 -05:00 |
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c415385ab4
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Merge pull request #3594 from akohlmey/abc-fire-alternative
Alternative implementation of ABC-FIRE
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2023-01-13 21:28:25 -05:00 |
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acb59c8b74
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Merge pull request #3597 from lammps/dump-grid-dimension
Add ITEM: DIMENSION to dump grid output
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2023-01-13 17:42:35 -05:00 |
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651e95654c
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more details on dump snapshot header values
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2023-01-13 12:34:05 -07:00 |
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9169d88090
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add ITEM: DIMENSION to dump grid src/doc
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2023-01-13 09:42:11 -07:00 |
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8e138161af
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add more thorough checks on Fortran and MPI support for Fortran.
also works around issue with GNU Fortran 12 and later
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2023-01-13 11:02:24 -05:00 |
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b97a0c62e4
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whitespace
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2023-01-12 23:00:52 -05:00 |
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f27c7a9135
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rework neb docs to use .. math:: and :math: in sphinx
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2023-01-12 22:58:16 -05:00 |
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