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e240619b94
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update pace plugin loader to include the two additional styles added
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2024-09-03 22:30:32 -04:00 |
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9243959ca4
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Merge pull request #4304 from akohlmey/collected-small-changes
Add lammps_extract_atom_size() call to library interface and equivalent to python and fortran modules
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2024-09-03 16:43:37 -04:00 |
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731847b4dc
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report proper style name in error messages
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2024-09-02 21:21:14 -04:00 |
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7c80b00f23
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small corrections in the DIFFRACTION package, mostly cosmetic
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2024-09-02 06:26:27 -04:00 |
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1b5413189d
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Add more details to documentation of GitHub CLI "gh"
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2024-09-01 08:15:58 -04:00 |
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a143e0a183
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small corrections
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2024-09-01 08:15:26 -04:00 |
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f6f7122041
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Merge branch 'doc-modified' into collected-small-changes
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2024-09-01 08:09:45 -04:00 |
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93d11c376d
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Fix small typo and errors, unifiy example inputs
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2024-09-01 15:48:34 +08:00 |
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2e58e4c428
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Simplify some more. don't install undetected MPI.
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2024-08-31 15:57:34 -04:00 |
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debda72170
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print ccache statistics after compilation again
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2024-08-31 15:51:52 -04:00 |
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8023074650
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build release version
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2024-08-31 15:30:40 -04:00 |
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0b7ba6f8c1
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let ninja decide how many processes to launch
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2024-08-31 15:23:55 -04:00 |
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b372aa0bdc
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try to skip using Fortran
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2024-08-31 15:18:27 -04:00 |
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06bee65a1a
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use windows style pathnames
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2024-08-31 15:10:11 -04:00 |
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34bd2c4f2a
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use our own fork
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2024-08-31 14:58:53 -04:00 |
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b890aee7de
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update alternate action from GitHub marketplace
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2024-08-31 14:55:01 -04:00 |
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11172b1c62
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use different structure
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2024-08-31 14:42:50 -04:00 |
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73fdd66f03
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correct syntax issue
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2024-08-31 14:40:31 -04:00 |
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d85380476d
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alternate approach for using ninja with MSVC++
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2024-08-31 14:38:12 -04:00 |
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6e612f68c2
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remove misplaced comma
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2024-08-31 14:09:47 -04:00 |
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6d55da7207
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bring back multi-config
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2024-08-31 14:00:51 -04:00 |
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6c40e8dc79
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revert back to MSBuild and report launcher, if active
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2024-08-31 13:57:54 -04:00 |
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2998d88edb
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prefer MSVC++ over MinGW
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2024-08-31 13:48:10 -04:00 |
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72acea291a
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switch to ninja-build and single configuration setup
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2024-08-31 13:42:55 -04:00 |
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0d7305672b
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use chocolatey instead of winget
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2024-08-31 12:48:09 -04:00 |
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55a549a2fb
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try speed up windows compilation with ccache
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2024-08-31 12:43:50 -04:00 |
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78597a9c39
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add fortran module tests for extracting atom properties with array dimensions
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2024-08-31 12:16:27 -04:00 |
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6f114eddea
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Fix typo in CMakeLists.txt
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2024-08-31 11:14:50 -04:00 |
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84fa26ee2c
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update test checking tool
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2024-08-31 11:13:53 -04:00 |
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2c05378815
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expand python module unit tests for extract_atom()
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2024-08-31 07:04:59 -04:00 |
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7d176cb66e
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fix logic bug
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2024-08-31 07:04:53 -04:00 |
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70a62d5ebf
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make certain that the mass and mass_setflag arrays are fully initialized (to zero)
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2024-08-31 06:20:44 -04:00 |
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6ebdb0b982
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some more tweaks to the workflows
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2024-08-31 04:53:09 -04:00 |
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e5f8a4bec5
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must install mpi for compiling with mpi
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2024-08-31 04:47:03 -04:00 |
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fb2c060d63
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add unit test run on GitHub with -DLAMMPS_BIGBIG
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2024-08-31 04:40:25 -04:00 |
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abc621ddbd
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Add GitHub workflow to check for variable length arrays
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2024-08-31 04:33:31 -04:00 |
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70b8b987ca
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add noreturn attribute to templated version of error->one and error->all
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2024-08-31 00:57:59 -04:00 |
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35c36bb16e
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step version number for LAMMPS-GUI
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2024-08-31 00:55:22 -04:00 |
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cdd2640101
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remove double delete[]
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2024-08-30 23:22:29 -04:00 |
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0cdf8f2658
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swap rows/cols for less confusion
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2024-08-30 23:16:37 -04:00 |
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b426556632
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replace bogus allocation
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2024-08-30 22:51:31 -04:00 |
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3e7123e21e
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make compatible with comm_modify vel yes
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2024-08-30 22:51:08 -04:00 |
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9d9e591b54
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first try at implementing lammps_extract_atom_size()
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2024-08-30 22:50:42 -04:00 |
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e921af8efa
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fix bug where custom property dimension was not reported
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2024-08-30 10:40:58 -04:00 |
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f3f69da328
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expand tests on properties including custom properties
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2024-08-30 10:29:41 -04:00 |
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6b1aec981e
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exceptions are always enabled now
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2024-08-29 22:33:40 -04:00 |
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02f16251d4
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flag development version
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2024-08-29 22:09:11 -04:00 |
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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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