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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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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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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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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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692bdaea37
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reorder
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2023-01-12 18:28:01 -05:00 |
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b7db402c2d
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post-axel updates
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2023-01-12 18:30:15 +01:00 |
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e3afc99c3a
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Merge branch 'lammps:develop' into energy_spacing_neb
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2023-01-12 13:50:35 +01:00 |
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27961907ad
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small doc tweaks
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2023-01-11 21:23:57 -05:00 |
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0104824727
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remove min style fire/old
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2023-01-11 07:33:16 -05:00 |
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ee77055e49
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make consistent
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2023-01-11 06:46:02 -05:00 |
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8800adf1cd
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fully integrate ABC-FIRE and make it a min_modify option
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2023-01-10 16:20:00 -05:00 |
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b3396f109b
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Merge pull request #3589 from akohlmey/collected-small-fixes
Collected small fixes and changes
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2023-01-09 19:07:03 -05:00 |
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d907baac83
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sync docs with fire minimizer code features
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2023-01-09 13:30:29 -05:00 |
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954f6ed1f3
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fix double word
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2023-01-08 15:51:22 -05:00 |
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6c914a7e37
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add support for a custom zbl() function to lepton pair styles
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2023-01-08 01:26:41 -05:00 |
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6a8df032b6
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Merge pull request #3582 from athomps/sllod_variants
Implement sllod variants
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2023-01-06 21:55:10 -05:00 |
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be5cede69f
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Merge pull request #3551 from akohlmey/compute-efield-atom-wolf
Add new compute efield/wolf/atom command
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2023-01-06 20:29:38 -05:00 |
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fbbe66c8bd
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Merge branch 'develop' into lepton-package
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2023-01-06 17:53:23 -05:00 |
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af72a957f8
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reorder lines, so syntax highlighting does not get messed up
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2023-01-06 10:07:05 -05:00 |
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909bbcfdbd
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a few more tweaks for consistency
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2023-01-06 09:03:00 -05:00 |
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92df9f1c71
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update docs
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2023-01-06 08:43:44 -05:00 |
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3f496905d6
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Merge branch 'develop' into lepton-package
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2023-01-06 00:44:28 -05:00 |
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69169031ba
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spelling
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2023-01-06 00:00:24 -05:00 |
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289d319a6c
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drop a few more command prompt characters
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2023-01-06 00:00:14 -05:00 |
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8dc7a37ba0
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register KOKKOS acceleration for pair style
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2023-01-05 23:59:32 -05:00 |
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01d9033e2d
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Merge branch 'develop' into collected-small-changes
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2023-01-05 23:36:45 -05:00 |
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3bf527d070
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Merge pull request #3579 from akohlmey/linalg-in-cpp
Convert linalg library from Fortran to C++
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2023-01-05 21:16:06 -05:00 |
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843cc98531
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Merge pull request #3569 from jrgissing/type-labels-bond/react-examples
Type labels for bond/react examples
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2023-01-05 19:22:43 -05:00 |
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821b34de78
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Merge pull request #3585 from yury-lysogorskiy/feature/pace-extrapolation-kokkos
Feature/pace extrapolation kokkos
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2023-01-05 19:15:49 -05:00 |
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9a0fd9d237
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clarifications and documentation additions
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2023-01-05 17:47:47 -05:00 |
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e40ef346fe
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Merge pull request #3573 from akohlmey/angle-write
Implement angle_write and dihedral_write commands
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2023-01-05 17:32:38 -05:00 |
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c8a33aefd4
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add versionadded tag
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2023-01-05 08:49:35 -05:00 |
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67c50e4d4f
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call macOS consistently macOS
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2023-01-05 08:33:08 -05:00 |
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6104b2241f
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add note about how to add OpenMP support to Xcode on macOS
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2023-01-05 08:32:30 -05:00 |
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