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05e836f50e
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Merge pull request #4297 from akohlmey/next_release
Update version strings for release
patch_29Aug2024
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2024-08-29 20:26:41 -04:00 |
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317fb8d537
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Merge pull request #4301 from stanmoore1/reaxff_overflow_errors
Gracefully error out if integer overflow in ReaxFF or QEq
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2024-08-29 20:19:29 -04:00 |
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4aca808da6
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Casts need to be bigint
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2024-08-29 17:40:38 -06:00 |
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7a9f0cd60d
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Fix potential overflow in Kokkos neighbor counting
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2024-08-29 14:40:50 -06:00 |
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6fd022695a
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Tweak error message
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2024-08-29 14:23:49 -06:00 |
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571076a5a7
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Gracefully error out if integer overflow in ReaxFF or QEq
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2024-08-29 14:18:08 -06:00 |
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2581b1abfe
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update change log info for flatpak
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2024-08-28 22:13:04 -04:00 |
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a2138b79d6
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Merge branch 'develop' into next_release
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2024-08-28 22:12:31 -04:00 |
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d48ca258fa
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Merge pull request #4209 from akohlmey/plumed-plugin
Add support to build the PLUMED package as a plugin
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2024-08-28 19:10:46 -04:00 |
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af5f437aeb
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update list of dependencies
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2024-08-28 15:30:44 -04:00 |
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acfed12684
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avoid recursion. there is only one executable.
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2024-08-28 15:12:46 -04:00 |
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4e8c1f3284
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Merge branch 'develop' into plumed-plugin
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2024-08-28 14:28:05 -04:00 |
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0ad64045f5
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Merge pull request #4298 from akohlmey/collected-small-fixes
Collected small fixes for LAMMPS and LAMMPS-GUI for the stable release
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2024-08-28 11:54:27 -04:00 |
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f2102b76f2
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cosmetic
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2024-08-28 11:09:47 -04:00 |
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78310bddcf
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update docs for LAMMPS-GUI plugin changes and document flatpak build
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2024-08-27 21:43:00 -04:00 |
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932eaf864a
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must register variant for QList<QString> before using QSettings
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2024-08-27 21:19:09 -04:00 |
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99e5b06279
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make plugin path canonical
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2024-08-27 17:18:11 -04:00 |
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98b4771ed6
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sanity check
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2024-08-27 17:18:01 -04:00 |
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c01585e8b2
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revise plugin loading logic
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2024-08-27 17:02:17 -04:00 |
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49d664583a
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correct define
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2024-08-27 17:00:42 -04:00 |
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4060de6a9c
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make handling of plugin path and recent files more consistent
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2024-08-27 14:27:39 -04:00 |
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83aab0f425
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add option to set plugin path from the command line
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2024-08-27 10:40:24 -04:00 |
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d8b9679b87
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fix cut-n-paste issue
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2024-08-27 10:10:29 -04:00 |
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5fbdf155e5
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remove unused variables
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2024-08-27 08:57:42 -04:00 |
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2ebe1f019f
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avoid uninitialized data access in case there are no atoms owned by a process
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2024-08-26 21:14:44 -04:00 |
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6e791034f9
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Merge pull request #4295 from akohlmey/collected-small-fixes
Updates for LAMMPS-GUI
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2024-08-26 14:03:41 -04:00 |
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ac90dca5a1
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whitespace
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2024-08-26 11:38:26 -04:00 |
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4e590507f0
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Merge remote-tracking branch 'github/develop' into collected-small-fixes
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2024-08-26 11:37:56 -04:00 |
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121195d19d
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Merge pull request #4290 from lammps/doc-page-ke-tensors
Amend doc page explanations of vector outputs from the various compute temp commands
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2024-08-26 11:18:19 -04:00 |
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d9a2fd9f36
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kokkos: move #endif to correct location
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2024-08-26 10:54:14 -04:00 |
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dc66929e65
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Merge pull request #4293 from jrgissing/bond_react_fixes_summ24
Bond/react: fixes and error checking
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2024-08-26 10:45:32 -04:00 |
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d1f141c962
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Merge branch 'develop' into plumed-plugin
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2024-08-26 04:17:04 -04:00 |
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99153f20be
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refactor how reactions are skipped
better treatment of allowing all possible reactions when using 'overlap' keyword of 'create_atoms' feature
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2024-08-25 21:55:19 -04:00 |
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fa373eb685
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update pending version tags with planned release date
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2024-08-25 16:39:13 -04:00 |
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c68981c7fc
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build LAMMPS-GUI flatpack from release branch of the official repo
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2024-08-25 16:37:49 -04:00 |
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b8b103df28
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update version strings
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2024-08-25 16:37:25 -04:00 |
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9e5e1af125
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update TODO list for LAMMPS-GUI
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2024-08-25 16:25:42 -04:00 |
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d59d31b445
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remove accidental commit
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2024-08-25 16:14:36 -04:00 |
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cfcbad9e38
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back to 5 sigma
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2024-08-25 16:07:22 -04:00 |
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586e5db757
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completely hide inactive atom size field instead of only disabling them
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2024-08-25 15:49:42 -04:00 |
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a1a72f741a
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update docs with recent paper
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2024-08-25 14:54:51 -04:00 |
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e94d32e7d3
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clean up tiny_nylon example
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2024-08-25 14:19:17 -04:00 |
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6514dbb4b6
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refactor how to insert atoms
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2024-08-25 13:42:51 -04:00 |
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86975151b2
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step LAMMPS-GUI version
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2024-08-25 07:27:37 -04:00 |
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e3773cad83
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workaround for Qt 5.12 which is lacking some color constants
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2024-08-25 02:50:47 -04:00 |
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765212eae2
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LAMMPS-GUI doc update
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2024-08-25 01:18:29 -04:00 |
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97c5bcc00c
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update
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2024-08-25 00:55:56 -04:00 |
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180593e53c
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add missing picture
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2024-08-25 00:51:43 -04:00 |
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67bba08b3d
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add unit tests for extracting lattice spacings
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2024-08-25 00:41:58 -04:00 |
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6c13e8d053
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tweak docs for better formatting
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2024-08-25 00:41:26 -04:00 |
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