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7905e5d146
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Merge branch 'develop' into general-triclinic
# Conflicts:
# src/atom.cpp
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2024-01-29 21:05:21 -05:00 |
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153e30227e
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Added function to extract output from an existing log file into a yaml data structure, working on in place testing
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2024-01-29 18:07:21 -06:00 |
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ba4174f474
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Added tolerances to the config file
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2024-01-29 15:25:52 -06:00 |
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c7a3571974
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add library interface to Variable::internal_set()
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2024-01-24 03:59:29 -05:00 |
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c60d439fb7
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Switched to using argparse
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2024-01-08 15:00:24 -06:00 |
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c6d1cbef5a
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Merge branch 'develop' into general-triclinic
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2024-01-04 21:10:50 -05:00 |
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dedbd8f6db
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improvements from clang-tidy
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2023-12-21 14:25:31 -05:00 |
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4ae4c8103d
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step LAMMPS-GUI patch level
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2023-12-16 22:46:02 -05:00 |
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abe6356716
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update help index table for recently added or changed styles
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2023-12-14 21:34:11 -05:00 |
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45ca21da3b
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fix typo
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2023-12-14 11:21:16 -05:00 |
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1cff1deedc
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add valgrind suppressions for MPICH on Fedora 39
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2023-12-13 00:24:49 -05:00 |
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2ed03164b7
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Updated in place testing case, assuming in.* are input scripts, skipping input scripts without REG markers for now
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2023-12-10 22:56:53 -06:00 |
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fbbdd5bcad
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Updated run_tests.py for testing inplace input scripts
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2023-12-10 16:56:47 -06:00 |
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bcd0eac78a
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Merge remote-tracking branch 'refs/remotes/origin/regression-tests' into regression-tests
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2023-12-10 16:53:52 -06:00 |
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a6f82eb970
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Added check if input files in a folder have REG markers
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2023-12-10 14:15:13 -06:00 |
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1f13a6a193
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Merge branch 'upstream' into regression-tests
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2023-12-09 23:02:38 -06:00 |
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1957eb5ca8
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Attempted to change dir to individual example folders
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2023-12-08 10:21:35 -06:00 |
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c0cab665e4
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complete printf format
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2023-12-03 04:18:44 -05:00 |
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28c547a3cf
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Merge branch 'develop' into general-triclinic
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2023-12-02 12:40:23 -05:00 |
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7f3af781fa
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remove superflous class member.
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2023-12-02 09:37:36 -05:00 |
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2970d73d22
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cosmetic
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2023-12-02 08:53:20 -05:00 |
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cace83e30d
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improve error handling to make coverity scan happy
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2023-12-02 08:53:05 -05:00 |
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f6b644388c
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add moltemplate tutorial to HowTo section
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2023-11-30 16:41:19 -05:00 |
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9fae8a2c2d
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Merge branch 'develop' into general-triclinic
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2023-11-21 15:21:16 -07:00 |
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dfafdff209
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finalized dump command support for general triclinic
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2023-11-20 12:06:58 -07:00 |
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3c915b14a7
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Renamed the README file
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2023-11-13 15:18:36 -06:00 |
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25d862d7b4
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Added README.md
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2023-11-13 15:17:22 -06:00 |
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1d1d53222a
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Merge branch 'lammps:develop' into regression-tests
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2023-11-13 15:08:05 -06:00 |
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3a93b16cff
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Added argument parsers
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2023-11-13 11:52:21 -06:00 |
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476c569804
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Used the last thermo step in the log file for comparison
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2023-11-13 11:35:27 -06:00 |
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9642a950b1
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Updated run_tests.py, added in.eam
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2023-11-13 11:19:59 -06:00 |
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109becc542
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Retrieved the list of installed packages
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2023-11-05 23:39:44 -06:00 |
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5674786acd
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add feature to comment out and uncomment lines and selections from context menu
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2023-10-30 15:25:06 -04:00 |
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784ae460a1
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only offer completion in context menu, if there is something to complete
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2023-10-27 13:18:19 -04:00 |
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5a665c31f6
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use better heuristics to avoid zero plot ranges
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2023-10-27 00:20:34 -04:00 |
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b6b8884bc6
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clear data buffer when querying LAMMPS for info, check return values, use symbolic constant
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2023-10-26 13:58:17 -04:00 |
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22c47a4e1b
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expand x or y range for charts if too small
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2023-10-26 12:21:48 -04:00 |
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1e533d6496
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simplify
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2023-10-26 12:20:47 -04:00 |
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6942103c27
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Initiated the regression test setup
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2023-10-25 11:21:00 -05:00 |
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1e2416dfcc
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make sure liblinalg is built before linking phana
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2023-10-23 15:00:59 -04:00 |
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0f11a9dd70
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require version newer than 2 Aug 2023 for LAMMPS GUI 1.5.9
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2023-10-19 23:21:18 -04:00 |
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ea69d77b79
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fix issues with Qt library detection
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2023-10-17 20:02:01 -04:00 |
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ae8791c682
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avoid out of bounds access to string under cursor
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2023-10-13 08:17:10 -04:00 |
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2f67826363
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indicate whether multi-thread is available in preferences
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2023-10-13 06:59:06 -04:00 |
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50d2ebc27d
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auto-detect OpenMP support also when compiling a standalone binary
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2023-10-13 06:50:52 -04:00 |
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3db7e1f9cf
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avoid invalid data accesses
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2023-10-13 06:50:06 -04:00 |
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926de1575c
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avoid completion on empty lines
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2023-10-13 06:20:19 -04:00 |
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2629136958
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avoid uninitialized data access and segfaults when calling main widget functions
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2023-10-13 06:20:12 -04:00 |
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3ebcb0f6f1
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store settings to different locations for different Qt versions
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2023-10-13 06:00:29 -04:00 |
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6195be5af7
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make keyboard shortcut handling consistent across the entire app
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2023-10-13 05:59:20 -04:00 |
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