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513fc95f81
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update msi2lmp manpage
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2024-09-06 07:30:50 -04:00 |
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93de00f649
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move kspace style definition after reading the data file to comply with needs of recent LAMMPS versions
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2024-09-06 07:25:52 -04:00 |
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683643c248
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sort lists of bonds, angles, dihedrals and impropers by atom IDs before comparing
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2024-09-06 07:25:01 -04:00 |
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4554c0367b
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use memcpy() instead of strncpy() to avoid issues with adding a terminal zero and array boundaries
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2024-09-06 07:24:07 -04:00 |
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3e2f929f31
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must call Error::all() from all MPI ranks.
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2024-09-05 23:22:04 -04:00 |
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360fdabc19
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small clarification
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2024-09-05 23:05:25 -04:00 |
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d67e0e6a41
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consolidate spelling
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2024-09-05 21:47:35 -04:00 |
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04ff7b4736
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add missing import
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2024-09-05 04:18:23 -04:00 |
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79dc5ee130
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Merge branch 'python-lint' into collected-small-changes
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2024-09-05 04:04:52 -04:00 |
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274f86b142
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Merge branch 'develop' into python-lint
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2024-09-05 04:03:06 -04:00 |
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29cd430da6
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no longer need the warnings module since the deprecated functions were removed
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2024-09-04 23:09:10 -04:00 |
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7d93460717
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add commented example for implementing a command style
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2024-09-04 08:23:29 -04:00 |
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311cac0348
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Add document describing how to implement a new command style
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2024-09-04 05:47:59 -04:00 |
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ec98481d01
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move check for libcurl to EXTRA-COMMAND.cmake package CMake module
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2024-09-04 04:22:49 -04:00 |
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597c53756e
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update plumed library to version 2.9.2
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2024-09-03 22:33:39 -04:00 |
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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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