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d4bddd4295
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Merge pull request #3440 from lammps/dump-step-post-minimize
Enforce dump snapshots on multiples of N steps in a run after minimize
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2022-09-09 16:30:35 -04:00 |
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935eea8219
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test a variety of dump output frequency and starting timesteps and run lengths
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2022-09-09 15:57:34 -04:00 |
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45c2419c84
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fix bug exposed by extending the regex buffer
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2022-09-08 23:25:02 -04:00 |
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f3acba28c7
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make unit test Windows compatible.
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2022-09-06 23:32:38 -04:00 |
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3a0b49b5bf
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Merge branch 'develop' into type-labels
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2022-09-06 19:16:07 -04:00 |
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1a5a509c1d
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add typelabel support for Shake Bond Types section in molecule files
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2022-09-05 10:28:00 -04:00 |
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53d82056ce
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add molecule file tests with type labels
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2022-09-04 21:09:43 -04:00 |
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8d26cc96c8
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also test colname default keyword/value pair
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2022-09-01 21:00:17 -04:00 |
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ced73080b8
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more dump_modify tests
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2022-09-01 04:03:11 -04:00 |
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be53dda249
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more dump_modify testing
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2022-08-31 21:23:23 -04:00 |
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bb225c4be6
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add unit test for checking dump_modify every
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2022-08-31 17:20:04 -04:00 |
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bb6ea422b7
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avoid global namespace import in header, more consistency
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2022-08-28 17:22:26 -04:00 |
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634496b509
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consistent naming and style
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2022-08-28 17:06:38 -04:00 |
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ca4f7b6579
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Merge pull request #3399 from akohlmey/lookup-molecules
Refactor access to molecule templates
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2022-08-17 15:29:11 -04:00 |
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89f32e43dc
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update unit test for changed error message
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2022-08-13 23:02:04 -04:00 |
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1de66a82de
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add tests for new API
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2022-08-13 16:02:58 -04:00 |
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7bce3a92e2
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correct test for overload with/without optional format arguments
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2022-08-04 22:00:13 -04:00 |
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7232261cea
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correct unit tests for dump local
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2022-07-17 12:15:44 -04:00 |
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234b9f180a
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use clang-tidy and clang-format to update/modernize/simplify code
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2022-05-31 14:46:57 -04:00 |
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fa79a66734
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feof() returns non-zero not necessarily 1
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2022-05-29 19:53:11 -04:00 |
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e2dd08a93e
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Better handle file- or path-names with spaces
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2022-05-28 04:55:10 -04:00 |
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bead819070
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changes missing from the previous commit
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2022-05-23 11:37:00 -04:00 |
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b461a49eee
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use _EXECUTABLE consistently instead of _BINARY
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2022-05-23 11:14:17 -04:00 |
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007588f9cb
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use GZIP executable variable name consistently
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2022-05-21 18:56:58 -04:00 |
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e3e849b266
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skip compressed file format tests if gzip executable is not found
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2022-05-21 07:37:25 -04:00 |
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172f88a0d5
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Merge pull request #3104 from ohenrich/cg-dna
CG-DNA unit test and performance enhancement
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2022-02-01 18:30:13 -05:00 |
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7ee7d0c570
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apply clang-format
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2022-01-30 17:18:40 -05:00 |
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0bfc5269dd
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fix mismatches causing failures on windows
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2022-01-29 20:52:25 -05:00 |
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9014664c13
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really fix unit test regexes for windows
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2022-01-29 19:07:35 -05:00 |
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c420f804d9
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make multi-line regex checks compatible with googletests Windows regex syntax
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2022-01-29 18:52:49 -05:00 |
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c464c40d67
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avoid accessing uninitialized data and triggering bogus memcheck output
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2022-01-29 18:12:15 -05:00 |
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c9de8fca1d
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silence compiler warnings
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2022-01-29 17:07:00 -05:00 |
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845ab2dd71
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On Windows the Regex matcher for '.' does not match '\n'
Thus we have to use ContainsRegex instead of MatchesRegex
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2022-01-29 16:35:30 -05:00 |
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d62e25decc
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don't specify default working directory for tests explicitly
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2022-01-29 11:10:23 -05:00 |
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1d51f2d151
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must not access invalid/uninitialized data
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2022-01-28 16:57:58 -05:00 |
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415476983d
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Merge branch 'develop' into cg-dna
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2022-01-26 19:31:48 +00:00 |
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9b6bb00d07
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Added unit test for atom_style oxdna
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2022-01-26 19:20:34 +00:00 |
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0eeb3b203c
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add tests for molecule command
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2022-01-16 16:50:23 -05:00 |
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12420181e1
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Merge pull request #3072 from akohlmey/refactor-data-file-parsing
Modernize parsing of topology data sections of data files
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2022-01-04 13:21:14 -05:00 |
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cf9429dc68
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implement overloads so that utils::*numeric() functions can be safely used with std::string()
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2021-12-30 11:03:37 -05:00 |
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3262140b65
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more detailed unit tests. do not fail if ncdump is missing.
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2021-12-27 10:35:38 -05:00 |
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091f6164c8
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add minimal unit test for netcdf dumps
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2021-12-26 23:22:53 -05:00 |
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a653ee6b2c
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recover failing unit tests and whitespace fixes
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2021-12-23 15:22:58 -05:00 |
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87501347ad
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add minimal unit tests for reading binary dumps
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2021-12-11 21:03:32 -05:00 |
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aab4f71019
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Merge branch 'develop' into multi-config-support
# Conflicts:
# unittest/force-styles/test_error_stats.cpp
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2021-11-04 15:50:49 -04:00 |
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439f997a10
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skip test for file not readable due to permissions on windows
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2021-11-03 14:54:38 -04:00 |
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b7bf60ea53
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use the portable platform::unlink() instead of unlink()
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2021-11-03 14:26:50 -04:00 |
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ad81dd3960
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recover original new style library target names through ALIAS library definitions
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2021-10-22 08:23:49 -04:00 |
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1d1573c5f2
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Merge branch 'develop' into multi-config-support
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2021-10-12 14:42:32 -04:00 |
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a1ff9e35b7
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Avoid file name collisions in dump unit tests
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2021-10-12 12:15:19 -04:00 |
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