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f877a6f4ce
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more consistency changes
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2024-07-17 19:13:10 -04:00 |
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470b106d99
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small tweaks for more consistency
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2024-07-17 15:11:17 -04:00 |
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1e75695558
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Updating LAMMPS GUI documentation for version 1.6
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2024-07-17 14:08:35 -04:00 |
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5afde3f0f5
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export to YAML functionality is only available if there is YAML format data
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2024-07-17 04:14:51 -04:00 |
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d277a12e43
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add missing icon file
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2024-07-16 23:44:46 -04:00 |
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2a1447ff03
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extract YAML format thermo data from output window text
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2024-07-16 23:38:18 -04:00 |
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1b9302299a
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implement delete-all-images function with pushbutton in slideshow viewer
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2024-07-16 22:54:38 -04:00 |
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dc84078156
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spelling
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2024-07-16 19:15:31 -04:00 |
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5b29871198
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update docs for new library function
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2024-07-16 19:08:01 -04:00 |
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8d4a80729a
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don't overwrite string type argument variables with their encoded version
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2024-07-16 19:01:06 -04:00 |
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4daba292d7
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add unit tests for library interface function lammps_extract_pair() and python equivalent
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2024-07-16 18:30:45 -04:00 |
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9730bb4f10
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step LAMMPS GUI version to 1.6.0
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2024-07-16 14:25:41 -04:00 |
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74780e74ef
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update TODO list with new ideas motivated by tutorial paper
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2024-07-16 07:30:14 -04:00 |
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615c1bb623
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more compact and consistent window titles
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2024-07-16 05:13:04 -04:00 |
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90dee57aae
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try using LJ sigma for particle radius in VDW mode
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2024-07-16 01:40:18 -04:00 |
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3b853adaac
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add lammps_extract_pair_dimension and lammps_extract_pair to library interface
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2024-07-16 01:38:21 -04:00 |
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1b5c42e1b7
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add shortcut button for save buffer
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2024-07-15 18:48:18 -04:00 |
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207d1e20b9
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warn about problematic compiler versions and C++ standard combinations
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2024-07-15 18:23:59 -04:00 |
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d7792956d6
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bugfix for unittest/fortran/wrap_configuration.cpp
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2024-07-15 17:47:22 -04:00 |
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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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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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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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1a30fe5349
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reset_atoms: one more grammar tweak
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2024-07-06 18:03:43 -04:00 |
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08cf19955d
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minor corrections to 'reset_atoms' docs
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2024-07-06 17:57:18 -04:00 |
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b1db2ddb3f
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store 'nchunk for msd' on first pass
because nchunk can be modified elsewhere
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2024-07-06 15:57:18 -04:00 |
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b7942ead3f
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chunk docs typo
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2024-07-06 15:49:46 -04:00 |
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54901eb8a4
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remove pointless check
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2024-07-06 09:55:41 -04:00 |
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f34b6dacaf
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improve fix indent documentation
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2024-07-06 09:55:22 -04:00 |
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fdf9ffee73
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use auto for type
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2024-07-06 00:52:27 -04:00 |
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