Commit Graph

1426 Commits

Author SHA1 Message Date
7dc0ace48f file viewer can be called from File menu or context menu in editor if word under cursor is a file 2024-07-21 18:37:06 -04:00
97ffabda0e add (text) file viewer class 2024-07-21 18:36:20 -04:00
36665683d4 Updated progress tracking 2024-07-21 16:57:08 -05:00
ca859c1d17 Added progress to track the tests processed 2024-07-21 16:22:11 -05:00
695f25521d Cleaned up and fixed issues with in_place = False (using the provided in.lj for debugging) 2024-07-21 10:21:14 -05:00
f23835932c Updated README and cleaned up 2024-07-21 10:06:37 -05:00
e8f09bfb02 Rearranged the functions for processing #REG markers, maybe phased out later as not needed 2024-07-21 09:11:38 -05:00
9109b4d89e Removed input scripts, data files and ref thermo files that were previously used for debugging, keeping only in.lj 2024-07-21 09:01:03 -05:00
9676b0cb06 Merge branch 'upstream' into regression-tests 2024-07-20 16:46:49 -05:00
85beac7107 compatibility with Qt-5.12 and Ubuntu 20.04LTS 2024-07-18 00:16:12 -04:00
93d40f494f revise documentation for changes in version 1.6 2024-07-18 00:06:51 -04:00
11c77b6136 drop icon since we now have the File menu entry and keyboard shortcut 2024-07-18 00:06:23 -04:00
1d1bf669f6 apply clang-format 2024-07-17 23:18:03 -04:00
7c804f7843 add feature to image viewer that copies the dump image command line to the clipboard 2024-07-17 23:16:49 -04:00
c3272297fc use LAMMPS-GUI consistenly (instead of LAMMPS GUI) 2024-07-17 23:01:15 -04:00
f877a6f4ce more consistency changes 2024-07-17 19:13:10 -04:00
470b106d99 small tweaks for more consistency 2024-07-17 15:11:17 -04:00
5afde3f0f5 export to YAML functionality is only available if there is YAML format data 2024-07-17 04:14:51 -04:00
d277a12e43 add missing icon file 2024-07-16 23:44:46 -04:00
2a1447ff03 extract YAML format thermo data from output window text 2024-07-16 23:38:18 -04:00
1b9302299a implement delete-all-images function with pushbutton in slideshow viewer 2024-07-16 22:54:38 -04:00
afa44e931b Fixed log file name issues, ignored log files that don't give thermo ouput as normally expected 2024-07-16 14:46:13 -05:00
9730bb4f10 step LAMMPS GUI version to 1.6.0 2024-07-16 14:25:41 -04:00
44edc61a00 Fixed issues with log file names with overlapping patterns (e.g. log.10Jan22.abcfire.* and log.10Jan22.neb.sivac.abcfire.*) 2024-07-16 13:16:23 -05:00
74780e74ef update TODO list with new ideas motivated by tutorial paper 2024-07-16 07:30:14 -04:00
615c1bb623 more compact and consistent window titles 2024-07-16 05:13:04 -04:00
90dee57aae try using LJ sigma for particle radius in VDW mode 2024-07-16 01:40:18 -04:00
3b853adaac add lammps_extract_pair_dimension and lammps_extract_pair to library interface 2024-07-16 01:38:21 -04:00
1b5c42e1b7 add shortcut button for save buffer 2024-07-15 18:48:18 -04:00
1fe1aa0683 lower default update interval to 10ms 2024-07-15 10:28:22 -04:00
970f518939 avoid out of range access 2024-07-15 06:25:03 -04:00
fb9a36c2f4 do not update the chart window when LAMMPS is not in a minimization or run 2024-07-13 19:12:46 -04:00
f83b82f04f Handled more cases 2024-07-12 23:59:17 -05:00
e0a0c94c6e Prepared for multiprocessing, maybe using separate input lists for different run_tests.py is sufficient 2024-07-11 00:04:26 -05:00
00f214f323 Added the --dry-run option to print statistics for the LAMMPS build and examples folder only 2024-07-10 11:35:23 -05:00
d875c5bb0f Updated README 2024-07-09 09:02:44 -05:00
17b2282a1e Merge branch 'upstream' into regression-tests 2024-07-09 08:24:46 -05:00
a72cffd198 Changed indentation 2024-07-09 08:22:37 -05:00
170c12d5df Handled error runs where log.lammps is not created (e.g. using more MPI procs than the number of physical CPUs) 2024-07-08 17:19:57 -05:00
0b3de48ef0 Added the config file for kokkos testing and enabled logging for the output of the failed runs 2024-07-08 16:32:45 -05:00
c7d729e3d6 Allowed to skip a list of input scripts as specified in the config file 2024-07-08 15:52:49 -05:00
9c8f7854ad avoid out-of-bounds string character access during completion 2024-07-06 00:50:15 -04:00
4746fe74ed Allowed to specify tolerances for individual input scripts, overriding the global values 2024-07-05 09:37:06 -05:00
eeaecb3ed3 macOS app bundle requires -D BUILD_TOOLS=yes 2024-07-04 15:13:06 -04:00
cefe76919c make more use of auto and thus avoid having to specify the same type twice 2024-07-04 11:12:40 -04:00
3453f13c2d correct capitalization 2024-06-25 13:33:29 -04:00
6b42545044 fix errors in fix amoeba/pitorsion doc page 2024-06-21 07:51:49 -06:00
ef902b03f9 Merge branch 'develop' into collected-small-changes 2024-06-19 12:02:56 -04:00
4b0adcc66a avoid segfaults when updating charts in simulations with fast thermo output 2024-06-13 08:34:25 -04:00
567ba1f437 improve R value for SI units 2024-06-10 19:37:35 +02:00