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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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9c8f7854ad
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avoid out-of-bounds string character access during completion
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2024-07-06 00:50:15 -04:00 |
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87060b2d3e
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display selected C++ standard as part of the CMake summary output
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2024-07-05 21:37:04 -04:00 |
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f05c87cd43
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use proper const qualifier
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2024-07-05 21:31:52 -04:00 |
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96f2e32591
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fix typo
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2024-07-05 20:15:30 -04:00 |
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61e391b449
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correct check for invalid header keywords
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2024-07-05 19:28:04 -04:00 |
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b89bc47626
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more thorough checks for molecule file header keywords
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2024-07-05 19:10:48 -04:00 |
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a3bacfca65
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more unit tests for tokenizer functions constains() and matches()
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2024-07-05 18:55:55 -04:00 |
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6fd962e132
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spelling
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2024-07-05 16:44:08 -04:00 |
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880aa40d1b
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add missing header
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2024-07-05 16:23:02 -04:00 |
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dacc55b889
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Prevent overflow in neighbor output
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2024-07-05 16:20:28 -04:00 |
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f0a11dbefd
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also promote ndatum in MyPoolChunk class
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2024-07-05 16:16:04 -04:00 |
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caa1b4a891
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promote ndatum to bigint to avoid overflows
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2024-07-05 16:12:08 -04:00 |
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8fcde04097
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add a "matches()" method to the Tokenizer and ValueTokenizer classes using utils::strmatch()
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2024-07-05 15:45:49 -04:00 |
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eeaecb3ed3
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macOS app bundle requires -D BUILD_TOOLS=yes
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2024-07-04 15:13:06 -04:00 |
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c0dfccdd64
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add a few more flags to clang-tidy
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2024-07-04 11:18:08 -04:00 |
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da2bd44b73
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modernize and reformat with clang-tidy and clang-format
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2024-07-04 11:17:54 -04:00 |
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cefe76919c
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make more use of auto and thus avoid having to specify the same type twice
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2024-07-04 11:12:40 -04:00 |
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10e3595b57
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separately catch exceptions thrown by new
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2024-07-03 22:20:06 -04:00 |
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a4d69878fa
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update list of available sanitizers for Fedora 40 and GCC 14
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2024-07-03 22:02:35 -04:00 |
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f94b078936
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use pkg-config instead of pkgconf consistently, since the latter comes with compatibility to the former
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2024-07-03 21:21:35 -04:00 |
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17d736c0f9
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Merge branch 'develop' into electrode
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2024-07-03 15:17:43 -04:00 |
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