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51b58b4249
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Cleaned up and added comments
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2024-07-21 18:06:34 -05:00 |
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7aaa5edf29
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Updated progress tracking to skip completed tests
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2024-07-21 17:56:10 -05:00 |
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36665683d4
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Updated progress tracking
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2024-07-21 16:57:08 -05:00 |
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ca859c1d17
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Added progress to track the tests processed
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2024-07-21 16:22:11 -05:00 |
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47c6f1633c
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Reverted the changes to examples/melt/in.melt, no need to add #REG
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2024-07-21 10:34:23 -05:00 |
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3ddb202853
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Removed the unnecessary thermo yaml file under examples/melt
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2024-07-21 10:32:44 -05:00 |
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695f25521d
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Cleaned up and fixed issues with in_place = False (using the provided in.lj for debugging)
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2024-07-21 10:21:14 -05:00 |
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f23835932c
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Updated README and cleaned up
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2024-07-21 10:06:37 -05:00 |
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e8f09bfb02
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Rearranged the functions for processing #REG markers, maybe phased out later as not needed
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2024-07-21 09:11:38 -05:00 |
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9109b4d89e
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Removed input scripts, data files and ref thermo files that were previously used for debugging, keeping only in.lj
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2024-07-21 09:01:03 -05:00 |
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051ed89851
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Reverted the unintentional changes to examples/bpm/impact/brokenDump
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2024-07-21 08:58:34 -05:00 |
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9676b0cb06
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Merge branch 'upstream' into regression-tests
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2024-07-20 16:46:49 -05:00 |
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1ed6e153b6
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Merge pull request #4214 from jtclemm/rheo
New multiphase fluids package
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2024-07-18 18:38:51 -04:00 |
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de95eb907a
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Clarifying comment on breakage in bond hybrid
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2024-07-17 11:53:01 -06:00 |
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afa44e931b
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Fixed log file name issues, ignored log files that don't give thermo ouput as normally expected
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2024-07-16 14:46:13 -05:00 |
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44edc61a00
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Fixed issues with log file names with overlapping patterns (e.g. log.10Jan22.abcfire.* and log.10Jan22.neb.sivac.abcfire.*)
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2024-07-16 13:16:23 -05:00 |
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a9a896c677
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Small doc changes, renaming status variable
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2024-07-15 17:19:51 -06:00 |
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0f13f632e2
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Merge pull request #4227 from akohlmey/collected-small-changes
Collected small changes and fixes
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2024-07-15 16:22:58 -04:00 |
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6f8bedd01c
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sync minimum sphinx version with requirements file
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2024-07-15 14:14:13 -04:00 |
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7cfc34e45d
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the source_suffix option is supposed to be a map
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2024-07-15 14:08:19 -04:00 |
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046f57625a
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Merge branch 'develop' into collected-small-changes
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2024-07-15 13:10:35 -04:00 |
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0b08ee898c
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Merge pull request #4218 from robeme/electrode
Bugfixes and improvements for ELECTRODE package
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2024-07-15 13:10:09 -04:00 |
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bb15fa53cb
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Merge pull request #4230 from jrgissing/chunk_related_fixes
docs + minor msd/chunk refactor
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2024-07-15 13:08:02 -04:00 |
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b0238b1bf2
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Merge pull request #4232 from rbberger/remove_sprintf_from_core
core files: replace sprintf with snprintf
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2024-07-15 12:17:55 -04:00 |
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1fe1aa0683
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lower default update interval to 10ms
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2024-07-15 10:28:22 -04:00 |
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1d6959efe6
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only print fix reaxff/bonds output during setup the first time
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2024-07-15 06:58:05 -04:00 |
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acd7bd111d
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remove dead code
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2024-07-15 06:51:58 -04:00 |
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6fedb6a1b8
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fix compilation issue with latest QUIP/libAtoms code
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2024-07-15 06:48:21 -04:00 |
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970f518939
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avoid out of range access
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2024-07-15 06:25:03 -04:00 |
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fb9a36c2f4
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do not update the chart window when LAMMPS is not in a minimization or run
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2024-07-13 19:12:46 -04:00 |
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58513320d3
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core files: replace sprintf with snprintf
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2024-07-13 15:33:56 -06:00 |
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f83b82f04f
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Handled more cases
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2024-07-12 23:59:17 -05:00 |
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1912083935
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add warning about overflowing image flags and how to prevent that
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2024-07-12 23:43:14 -04:00 |
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a0fb12c265
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disentangle the fix deform and fix deform/pressure pages somewhere for easier reading
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2024-07-12 23:42:42 -04:00 |
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06511a6e77
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couple more doc tweaks
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2024-07-11 19:17:09 -04:00 |
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0e6ff7d70a
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only call post_force() if it was selected as callback.
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2024-07-11 15:02:38 -04:00 |
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47af1775c2
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update test since we have now one invocation also during setup
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2024-07-11 15:02:03 -04:00 |
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a55092dc26
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rewrap docs
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2024-07-11 13:39:44 -04:00 |
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c1c1d32136
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The post_force callback should also be called during "setup"
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2024-07-11 13:32:56 -04:00 |
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9e917412c9
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fix typo and rewrap lines
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2024-07-11 12:39:42 -04:00 |
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e51e0c1fb7
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re-order entries
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2024-07-11 11:37:42 -04:00 |
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e0a0c94c6e
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Prepared for multiprocessing, maybe using separate input lists for different run_tests.py is sufficient
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2024-07-11 00:04:26 -05:00 |
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b9e263b1d1
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re-add empty row between special and regular pair styles
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2024-07-10 16:17:33 -04:00 |
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00f214f323
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Added the --dry-run option to print statistics for the LAMMPS build and examples folder only
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2024-07-10 11:35:23 -05:00 |
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8f6cf085e8
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syncing table in build_packages/extra
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2024-07-09 15:06:18 -06:00 |
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d875c5bb0f
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Updated README
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2024-07-09 09:02:44 -05:00 |
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17b2282a1e
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Merge branch 'upstream' into regression-tests
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2024-07-09 08:24:46 -05:00 |
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a72cffd198
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Changed indentation
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2024-07-09 08:22:37 -05:00 |
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170c12d5df
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Handled error runs where log.lammps is not created (e.g. using more MPI procs than the number of physical CPUs)
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2024-07-08 17:19:57 -05:00 |
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0b3de48ef0
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Added the config file for kokkos testing and enabled logging for the output of the failed runs
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2024-07-08 16:32:45 -05:00 |
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