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275ef9da17
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update n2p2 lib version for traditional make, too.
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2023-01-31 20:28:15 -05:00 |
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b6a87390a3
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revert MD5 hash to current value after GitHub reversed its change
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2023-01-31 20:28:04 -05:00 |
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72178631c5
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update N2P2 library to version 2.2.0
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2023-01-31 20:27:57 -05:00 |
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f8859c5fca
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implement download fallback URLs pointing to download.lammps.org for CMake
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2023-01-31 20:22:06 -05:00 |
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979119a29b
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backport fixes to KOKKOS and REAXFF from PR #3621
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2023-01-31 20:18:38 -05:00 |
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bc66572275
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Fix out of bounds access in pair_vashishta_kokkos with skip list
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2023-01-31 20:00:45 -05:00 |
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609231675f
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Allow neighbor class to set newton flag in Kokkos neigh list
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2023-01-31 19:55:07 -05:00 |
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d9675b5da4
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Fix QUIP compilation with Intel compilers.
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2023-01-30 08:11:52 -05:00 |
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7d32b4f42a
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make Kokkos lib compatible with musl-libc
Note: this was adapted from https://github.com/kokkos/kokkos/pull/5678
to be usable without requiring C++17
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2023-01-27 12:21:39 -05:00 |
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697e5b15ec
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forcibly disable COMPRESS package is zlib is not found
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2023-01-27 07:29:25 -05:00 |
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ade0718c11
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make compatible to non-glibc Linux
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2023-01-27 07:26:23 -05:00 |
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31033ff6e0
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must initialize "np" in constructor
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2023-01-26 18:34:21 -05:00 |
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9a598ba5a8
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backport fix pimd bugfix from develop
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2023-01-26 15:59:26 -05:00 |
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af5229ba58
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swap constexpr back to const
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2023-01-26 09:58:26 -05:00 |
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b180200c48
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check if variable value is a valid number before converting it
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2023-01-26 07:10:50 -05:00 |
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db61bf609b
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plug memory leaks in couple examples
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2023-01-25 21:48:29 -05:00 |
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015fa4cb0a
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update embedded docs
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2023-01-25 21:44:04 -05:00 |
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62f6f91146
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minor typo and rewording
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2023-01-25 21:42:37 -05:00 |
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e163b0b1d7
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portability improvements for Solaris/OpenIndiana
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2023-01-25 21:40:23 -05:00 |
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169a886898
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cannot test PYTHON package if it is not installed
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2023-01-25 21:37:22 -05:00 |
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cbd276c49d
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correct prototype for documentation
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2023-01-25 21:32:03 -05:00 |
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183c6c06ff
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small tweaks to the "breadcrumbs" part of the theme to avoid double inserting a separation character
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2023-01-25 21:28:18 -05:00 |
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93a46da58e
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add image to the cover page of the PDF version of the manual
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2023-01-25 21:24:27 -05:00 |
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6b6a47bd3c
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Small tweaks
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2023-01-25 21:21:08 -05:00 |
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4a0a98a0fd
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Small bugfixes for Kokkos
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2023-01-25 21:20:59 -05:00 |
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369ea4fd26
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Add this
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2023-01-25 21:17:30 -05:00 |
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d63c002bf5
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Use group for Kokkos nvt temp compute
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2023-01-25 21:17:22 -05:00 |
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0fafe34008
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import updates to library plugin loader from upstream
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2023-01-13 05:21:33 -05:00 |
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812363fb99
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lammpsplugin bugfix from Stan
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2023-01-12 18:24:04 -05:00 |
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b40e0be1c9
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reset to current state of the library interface and remove parts from upstream that have crept in
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2023-01-12 12:08:00 -05:00 |
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ccef293161
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remove obsolete comment
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2023-01-11 22:11:53 -05:00 |
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4b0de87813
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silence compiler warning
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2023-01-11 21:59:35 -05:00 |
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fa22aef31b
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Fix obscure bug in Kokkos neigh list build
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2023-01-11 21:53:16 -05:00 |
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cb7544a615
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import modernization from upstream
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2023-01-11 21:41:58 -05:00 |
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a9be4906b7
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import safer ghost cutoff determination for manybody GPU styles from upstream
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2023-01-11 21:41:43 -05:00 |
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6f36d21a04
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GPU library updates
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2023-01-11 21:34:42 -05:00 |
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c55a15c4dc
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make AWPMD compatible with MSVC and c++-linalg on Windows
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2023-01-11 21:23:03 -05:00 |
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8f01dad1a9
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add tools/tabulate
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2023-01-11 21:21:51 -05:00 |
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3cee69a077
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correct Kokkos device/arch info ouput in CMake summary
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2023-01-11 18:15:56 -05:00 |
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69ffe71595
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update unit tests for code corrections
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2023-01-11 07:45:50 -05:00 |
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16fa033111
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fix issues with bundled meam/spline potentials
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2023-01-11 06:40:54 -05:00 |
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8e494aa771
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updates and bugfixes for liblammpsplugin plugin loader for LAMMPS shared lib
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2023-01-11 06:11:46 -05:00 |
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f8de1b1a75
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use official API for utils::logmesg(), stricter/consistent checking for integer and floats
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2023-01-11 05:54:35 -05:00 |
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de89a25a25
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final CMake sync with upstream
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2023-01-11 05:03:00 -05:00 |
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293d0cdb58
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fix typo
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2023-01-11 01:26:54 -05:00 |
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011f2651ee
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update
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2023-01-11 01:26:48 -05:00 |
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a8d3c43a77
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update version
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2023-01-11 01:26:35 -05:00 |
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c19641f8b3
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synchronize CMake scripting with upstream
|
2023-01-11 01:04:32 -05:00 |
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6596b343ff
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sync docs with fire minimizer code features
|
2023-01-10 21:55:56 -05:00 |
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b6dbb0330c
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update list of commands in pygments LAMMPS lexer
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2023-01-10 21:55:56 -05:00 |
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