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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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e902b7a8f1
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Merge pull request #3575 from akohlmey/dpd-exclusions
Correct handling of random force with exclusions in DPD pair styles
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2023-01-03 17:28:24 -05:00 |
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0522c33288
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Merge pull request #3572 from hammondkd/fortran2_updates
Mark Fortran2 library interface as obsolescent, remove Fortran 77 one.
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2023-01-03 15:04:36 -05:00 |
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83f4dd0ff3
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make consistent
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2023-01-03 14:19:34 -05:00 |
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396d577f40
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port DPD exclusions corrections to GPU package
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2023-01-02 12:04:10 -05:00 |
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37b3ba827f
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propagate DPD exclusion changes to INTEL and KOKKOS packages
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2023-01-02 11:33:08 -05:00 |
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8fb1193a0b
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Merge branch 'develop' into dpd-exclusions
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2023-01-02 10:20:03 -05:00 |
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f84b64bc86
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Merge pull request #3581 from rezarastak/patch-1
Use correct RST heading syntax
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2022-12-31 15:52:14 -05:00 |
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d2f3c474dd
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Use correct RST heading syntax
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2022-12-31 07:52:57 -05:00 |
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9355b79b47
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update dpd/ext styles in DPD-BASIC and OPENMP to correctly handle scaling for random force
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2022-12-25 19:23:22 -05:00 |
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63ddb07c59
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add versionadded tags
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2022-12-25 07:04:20 -05:00 |
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4ac830bf73
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add dihedral_write command
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2022-12-25 07:01:37 -05:00 |
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bbfc7381fb
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updates and corrections for docs
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2022-12-25 06:54:53 -05:00 |
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a4f8cb9a92
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explicitly disallow angle_write with angle_style class2
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2022-12-25 06:54:40 -05:00 |
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c4f2befb1f
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add sanity check on valid angle type
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2022-12-25 06:25:45 -05:00 |
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ecf11f2f20
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use macro for keeping repetitive code consistent
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2022-12-25 06:06:34 -05:00 |
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bbdc6fd3ab
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fix file handle leak
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2022-12-25 04:35:03 -05:00 |
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da98363a25
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implement angle_write command
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2022-12-24 22:52:16 -05:00 |
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93cfa6ef30
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fix typo. more clarifications
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2022-12-24 01:16:51 -05:00 |
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8a2257f568
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remove the obsolete legacy fortran 77 wrapper. update Fortran section of manual.
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2022-12-23 06:56:07 -05:00 |
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ca108c6f69
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use blank instead of empty string which is not supported by all compilers
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2022-12-22 23:23:32 -05:00 |
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992ef989b3
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Fixed warning message encountered with -std=f2003
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2022-12-22 22:09:20 -06:00 |
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44e6078437
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fix for bug detected by gfortran 12.2
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2022-12-22 22:01:48 -05:00 |
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885108e95b
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Merge branch 'lammps:develop' into fortran2_updates
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2022-12-22 20:31:05 -06:00 |
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f79d49ae64
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Merge branch 'develop' into dpd-exclusions
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2022-12-22 16:33:36 -05:00 |
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07fe2fa29d
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Merge pull request #3570 from lammps/doc-ovito-info
OVITO info for dump doc page
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2022-12-22 15:46:35 -05:00 |
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d4af1834ec
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Update dump.rst
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2022-12-22 10:44:03 -07:00 |
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090a4a69b9
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Merge pull request #3561 from lammps/map_ghost_bug
Fix bug when atoms are added after run
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2022-12-22 12:27:56 -05:00 |
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90cf1d6fca
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update VMD compatibility info, too.
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2022-12-22 12:25:49 -05:00 |
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0b7a55dac6
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OVITO info in dump doc page
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2022-12-22 08:11:22 -07:00 |
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8b8c0ee72d
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Merge pull request #3567 from akohlmey/next_patch_release
Set version strings for next patch release
patch_22Dec2022
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2022-12-22 09:16:33 -05:00 |
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ea8d90059a
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Merge pull request #3566 from akohlmey/collected-small-changes
Final collection of small changes for next patch release
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2022-12-22 02:21:06 -05:00 |
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73c95d43af
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whitespace
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2022-12-21 22:33:15 -05:00 |
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b6701f1892
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improve error messages
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2022-12-21 12:11:34 -05:00 |
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3d8e5be653
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apply clang-format
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2022-12-21 12:11:25 -05:00 |
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5c02803e02
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Merge branch 'develop' into collected-small-changes
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2022-12-21 12:06:26 -05:00 |
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d8620fc34c
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Merge pull request #3553 from evoyiatzis/patch-3
Fixing bug #3545
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2022-12-21 12:05:44 -05:00 |
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12a23b0ef1
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Fixing comment from bug report #3545
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2022-12-21 16:22:56 +02:00 |
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0460649d5b
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add note about porting legacy code to the new Grid3d/Grid2d classes
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2022-12-20 19:27:56 -05:00 |
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4309e0a6c8
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Added important restriction on number of atom types
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2022-12-20 11:55:24 -07:00 |
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e94a89baf7
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update .gitignore and Purge.list for recent changes
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2022-12-20 11:05:32 -05:00 |
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cc34cfb917
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add missing entry to list
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2022-12-20 10:57:38 -05:00 |
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b79f08b8d5
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fix logic bug
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2022-12-20 07:10:28 -05:00 |
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8e36fcfa6a
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address integer overflow issues detected by CodeQL
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2022-12-20 07:04:57 -05:00 |
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aba0ead71f
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programming style changes to reduce warnings from static code analysis
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2022-12-20 06:34:07 -05:00 |
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0f23659523
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fix bug detected by coverity scan
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2022-12-20 06:34:07 -05:00 |
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9e45fba4c4
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skip test where it causes an internal compiler error
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2022-12-20 06:34:00 -05:00 |
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2e6b975878
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update version tag placeholders for added, removed, or changed functionality
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2022-12-19 22:11:06 -05:00 |
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fd41ea9eae
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update version strings for next patch release
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2022-12-19 22:09:48 -05:00 |
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fa6251d83b
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Merge pull request #3560 from akohlmey/collected-small-changes
Collected small changes and fixes for the next patch release
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2022-12-19 21:38:36 -05:00 |
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