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d31595a36c
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fixing unit tests in python-scatter-gather.py
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2023-01-27 15:27:13 +02:00 |
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755766220c
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Include tests for gather_angles, gather_dihedrals & gather_impropers in python-scatter-gather.py
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2023-01-27 10:28:28 +02:00 |
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10ab0ffe19
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Include tests for gather_angles, gather_dihedrals & gather_impropers in python-numpy.py
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2023-01-27 09:59:28 +02:00 |
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07566abc8f
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Replacing arbitrary LAMMPS version with TBD in numpy_wrapper.py
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2023-01-26 16:50:05 +02:00 |
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14e9bb0033
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Replacing arbitrary LAMMPS version with TBD in core.py
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2023-01-26 16:48:49 +02:00 |
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047e4eeebc
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Auxiliary test methods for angles, dihedrals and impropers in python-numpy
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2023-01-26 16:41:47 +02:00 |
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f7ee47f47f
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Auxiliary test methods for angles, dihedrals and impropers
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2023-01-26 16:33:57 +02:00 |
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fca553d1c2
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document the Fortran module calls
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2023-01-26 15:58:00 +02:00 |
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915544e76d
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add Fortran wrappers to fortran/lammps.f90
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2023-01-26 12:22:08 +02:00 |
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d2539f45ae
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add doxygen style comments to document the new C library functions added
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2023-01-26 11:40:58 +02:00 |
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e4b2fd318f
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Update Library_scatter.rst
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2023-01-26 11:00:26 +02:00 |
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19dab05b45
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Update liblammpsplugin.c
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2023-01-26 09:35:10 +02:00 |
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3714abec24
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Update liblammpsplugin.h
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2023-01-26 09:34:01 +02:00 |
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2620726c96
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Update lammps.i
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2023-01-26 09:27:13 +02:00 |
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fae750391d
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Update core.py
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2023-01-25 19:53:41 +02:00 |
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d5121bf2ee
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Update numpy_wrapper.py
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2023-01-25 19:50:31 +02:00 |
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954dbacf82
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Update library.cpp
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2023-01-25 19:48:23 +02:00 |
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4af5ce3f96
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Update library.h
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2023-01-25 19:46:18 +02:00 |
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1e78254000
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Merge pull request #3598 from stanmoore1/kk_atomvec
Fix some issues with Kokkos hybrid `atom_vec`
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2023-01-24 23:04:06 -05:00 |
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9560fe2dd1
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Fix logic for Kokkos hybrid atomvec
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2023-01-24 14:15:58 -07:00 |
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7f2e34ff57
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Merge branch 'develop' of https://github.com/lammps/lammps into kk_atomvec
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2023-01-24 14:15:44 -07:00 |
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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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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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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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c42926feb0
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add CMake option to skip automatic download of large potential files
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2023-01-21 11:22:54 -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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