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adf43d7fee
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Fixed the issues with some OpenCL implementation to avoid errors casting changing the pointer address spaces
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2023-01-25 00:02:25 -06:00 |
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b206b4d1f6
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Fixed bugs with hippo/gpu for single- and mixed- precisions
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2023-01-24 23:55:30 -06:00 |
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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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8786819993
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use FFT_SCALAR more consistently to perhaps support single precision FFT some time
also, use "override" instead of virtual and add a forgotten virtual
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2023-01-24 22:32:40 -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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dec3afe595
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make synchronization for timers optional. only enable with "timer sync"
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2023-01-24 21:15:37 -05:00 |
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40c8fcb03a
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disallow using single precision FFTs with AMOEBA package
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2023-01-24 21:05:36 -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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aaa918cbe7
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Fixed bugs with access mode on the host side of thetai[1-3]
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2023-01-24 17:05:48 -06:00 |
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5014e04341
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Removed commented out code, ensured that ic_kspace is not nullptr when call precompute_kspace for hippo/gpu
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2023-01-24 08:40:08 -06:00 |
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554257ca63
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Merge pull request #3607 from akohlmey/no-inn-sewer-ants
Getting out of the insurance business :-)
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2023-01-23 21:02:53 -05:00 |
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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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70012131b6
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Update dihedral_table.cpp
Tweaked grammar and comment style
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2023-01-23 15:11:09 -07:00 |
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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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6148ee7ba4
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Merge pull request #3604 from lammps/collected-small-changes
Collected small changes and fixes
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2023-01-23 14:12:22 -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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c367f37e56
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Merge pull request #3605 from akohlmey/remove-mesont-fortran
Remove Fortran library and corresponding styles from MESONT package
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2023-01-23 11:50:34 -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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8e79e2efa5
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More cleanup, fixed bugs with hippo fphi kernels for mixed precision
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2023-01-23 00:18:42 -06:00 |
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11d0449fec
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make compatible to non-glibc Linux
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2023-01-22 18:25:32 -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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af8c091ed5
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add image to the cover page of the PDF version of the manual
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2023-01-21 15:58:10 -05:00 |
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ebe234d4e2
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turn off automatic potential download for github actions
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2023-01-21 11:33:33 -05:00 |
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6f3c8fc48e
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add CMake option to skip automatic download of large potential files
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2023-01-21 11:21:02 -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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7eab385bb3
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add CMake option to skip automatic download of large potential files
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2023-01-21 11:18:51 -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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650caa356f
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update atom style tester for removed Atom class members
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2023-01-21 05:28:14 -05:00 |
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d5a8674c00
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avoid creating __pycache__ folders outside of the docenv tree
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2023-01-21 05:02:09 -05:00 |
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682bb7c391
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fix cut-n-paste error
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2023-01-21 05:00:56 -05:00 |
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ac09c5c7c9
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add MESONT package to the "yes-most" selection for traditional make build
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2023-01-21 04:35:49 -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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c3b1c661a8
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small tweaks to the "breadcrumbs" part of the theme to avoid double inserting a separation character
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2023-01-21 04:18:24 -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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03b532db4a
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add false positive
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2023-01-20 22:53:29 -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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a6667f1b2c
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Minor tweaks to potentials
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2023-01-20 18:45:19 -07:00 |
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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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3911f1e3ec
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Resolved merge conflict
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2023-01-20 18:01:47 -07:00 |
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cf033780cc
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add false positive
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2023-01-20 19:15:20 -05:00 |
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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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02ab9bc67c
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add deprecation handler for removed/renamed minimizer styles
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2023-01-20 19:05:50 -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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