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3ae89fed8b
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Merge pull request #3867 from akohlmey/fix-vector-nmax
Add nmax keyword to fix vector to restrict vector length
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2023-08-10 06:27:11 -04:00 |
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db0c892d24
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correct parsing of arguments with nmax appended at the end
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2023-08-04 21:37:12 -04:00 |
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5e9658aff6
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fix whitespace and minor documentation integration issues
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2023-08-04 21:06:47 -04:00 |
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7adb2d7bcf
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fix syntax issues
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2023-08-04 17:16:00 -04:00 |
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4c68e3f5f3
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Small tweaks
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2023-08-04 13:29:22 -06:00 |
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376b83df52
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Merge branch 'develop' of github.com:lammps/lammps into local-composition
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2023-08-04 13:23:53 -06:00 |
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907673c4d7
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Merge branch 'develop' into fix-vector-nmax
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2023-08-04 13:07:03 -04:00 |
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a6767c85b0
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apply clang-format
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2023-08-04 12:11:59 -04:00 |
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2ea1c78376
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cosmetic
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2023-08-04 02:24:52 -04:00 |
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6280876825
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Merge remote-tracking branch 'github/develop' into collected_small_fixes
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2023-08-03 22:09:45 -04:00 |
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e87bbf4edb
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Merge pull request #3832 from akohlmey/fmtlib-update
Update fmtlib copy to version 10
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2023-08-03 22:03:32 -04:00 |
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7d84eb86f7
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Merge remote-tracking branch 'github/develop' into collected_small_fixes
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2023-08-03 21:01:08 -04:00 |
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e467461cac
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Merge pull request #3736 from lammps/always-exceptions
Always throw exceptions for errors
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2023-08-03 21:00:19 -04:00 |
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794e3d11df
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Merge pull request #3670 from stanmoore1/kk_update_4.0
Update Kokkos library in LAMMPS to v4.1.0
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2023-08-03 17:36:22 -04:00 |
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e3fa10ee88
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add deprecation note to lammps_config_has_exceptions() function
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2023-08-03 17:35:05 -04:00 |
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6e9a6e6b0b
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Merge pull request #3856 from akohlmey/remove-mscg-package
Remove MSCG package from LAMMPS distribution
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2023-08-03 17:29:56 -04:00 |
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24ea5fe7e3
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hack to avoid compile failure with intel
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2023-08-03 17:21:09 -04:00 |
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4ed98083e0
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Merge branch 'develop' into always-exceptions
# Conflicts:
# src/library.cpp
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2023-08-03 16:50:50 -04:00 |
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a57f2a996f
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sync with fmtlib upstream
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2023-08-03 16:34:07 -04:00 |
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6049f2985d
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Merge branch 'develop' into fmtlib-update
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2023-08-03 16:22:57 -04:00 |
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e0055ea929
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Merge branch 'develop' of github.com:lammps/lammps into kk_update_4.0
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2023-08-03 13:42:48 -06:00 |
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3f5898a241
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flag development branch
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2023-08-03 14:28:23 -04:00 |
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cc9dee5ecd
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use references instead of copies when looping over list of selected fixes
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2023-08-03 11:00:05 -04:00 |
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a6d178194e
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use consistent names and capitalization in comments
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2023-08-03 10:59:31 -04:00 |
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554db7daaf
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Merge pull request #3873 from akohlmey/next_patch_release
Step version strings for next release
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2023-08-03 08:14:14 -04:00 |
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dea8050a8a
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Merge pull request #3870 from akohlmey/lammps-gui
Add simple LAMMPS GUI using Qt library
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2023-08-03 01:02:18 -04:00 |
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498ca44310
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Add missing path to Kokkos Perlmutter Makefile
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2023-08-02 18:43:54 +00:00 |
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2711917a6e
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grammar
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2023-08-02 07:01:30 -04:00 |
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22a9f869ea
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change version date
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2023-08-01 18:39:42 -04:00 |
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ea5a20afc5
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add missing versionchanged tags
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2023-08-01 18:39:20 -04:00 |
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b75407684f
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more accurate pattern matching
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2023-07-29 13:49:21 -04:00 |
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6c38c4de50
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must update Purge.list when removing package from distribution
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2023-07-27 10:46:34 -04:00 |
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1fa4ab22ab
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Merge branch 'develop' into remove-mscg-package
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2023-07-27 10:45:23 -04:00 |
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a8de49769b
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add missing entry
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2023-07-27 10:43:20 -04:00 |
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3657ed6beb
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clean up comments
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2023-07-27 03:35:46 -06:00 |
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2273c5c475
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fix memory and output bugs
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2023-07-27 03:28:46 -06:00 |
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f533d4ff66
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Merge branch 'lammps:develop' into local-composition
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2023-07-27 03:13:51 -06:00 |
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f7881f4de5
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add global error message buffer for exceptions creating a LAMMPS instance
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2023-07-25 13:08:26 -04:00 |
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497659a4c7
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consolidate use of cstdint and cinttypes, with the latter being a superset of the former
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2023-07-24 16:29:54 -04:00 |
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a48f4597a2
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add optional nmax keyword to fix vector to allow using it as a sliding window
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2023-07-22 00:08:17 -04:00 |
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cbee2dd86d
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Merge remote-tracking branch 'github/develop' into collected-small-fixes
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2023-07-21 17:27:06 -04:00 |
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cccc362b3f
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improve error messages
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2023-07-21 11:28:09 -04:00 |
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9669bf3d3b
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move creation of internal computes and variables before lmp->init() so they are initialized
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2023-07-21 11:25:44 -04:00 |
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2da908190b
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make error messages consistent and improve their grammar
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2023-07-21 11:24:57 -04:00 |
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0b57ea246c
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update dump styles to use Compute::is_initialized()
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2023-07-20 21:48:51 -04:00 |
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78880c9099
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update reset_atoms image to call Compute::init_flag() as a workaround
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2023-07-20 21:28:45 -04:00 |
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c7996b506a
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make use of Compute::is_initialized() and Compute::init_flags()
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2023-07-20 20:31:48 -04:00 |
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6c6258371b
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add init_flags() and is_initialized() methods
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2023-07-20 20:31:16 -04:00 |
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7d46165c2a
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Fix compile bug in Kokkos MEAM styles
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2023-07-20 13:31:34 -06:00 |
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b9aa71cbc5
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Merge branch 'develop' of github.com:lammps/lammps into kk_update_4.0
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2023-07-20 13:03:17 -06:00 |
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