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2817ad036f
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make coverity scan happy
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2025-01-18 11:54:48 -05:00 |
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c2bcf79196
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avoid divisions
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2025-01-18 11:45:27 -05:00 |
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0501f76fcf
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follow LAMMPS programming style more closely
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2025-01-18 11:37:53 -05:00 |
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7b994801b5
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constant was denormal. increase to become normal
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2025-01-18 11:37:20 -05:00 |
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23c63511f0
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no hiden tabs, use string escapes instead.
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2025-01-18 11:08:25 -05:00 |
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7ffe04ca92
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discuss that only turning off bonds can lead to "bond atom missing" errors
also make notes and this warning stand out more by using adminition boxes
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2025-01-18 09:08:08 -05:00 |
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efd5165707
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avoid segfaults if there was no input processing
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2025-01-17 23:27:36 -05:00 |
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e38c13a764
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add strcompress function and use it for error output
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2025-01-17 22:59:44 -05:00 |
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e350f28e26
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refactor how error output is created and only print input and parsed line if they differ in text
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2025-01-17 18:06:31 -05:00 |
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fecf1c2f69
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update morse coeff method, fix bug in flag
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2025-01-17 15:59:28 -07:00 |
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f540e8b9ff
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whitespace
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2025-01-17 12:48:57 -07:00 |
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72784262b1
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Merge branch 'develop' into mdr-rebase2
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2025-01-17 12:17:20 -07:00 |
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9b443c9a4d
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add utility function to compare two string while ignoring whitespace
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2025-01-17 14:06:30 -05:00 |
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769b0b9211
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Clarifying doc on svector for many models, resetting svector values in granular model
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2025-01-17 11:56:37 -07:00 |
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e6a84d5f2a
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Added mdr svector to doc and svector example in in.triaxial.compaction.12
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2025-01-17 13:37:15 -05:00 |
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90416b63fc
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move misplaced break statement
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2025-01-17 13:14:51 -05:00 |
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7900f24844
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Adding contact area svector to mdr
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2025-01-17 11:29:35 -05:00 |
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ea9345444a
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Merge branch 'collected-small-fixes' of github.com:akohlmey/lammps into collected-small-fixes
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2025-01-17 10:41:12 -05:00 |
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b9dbfc6eb2
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add support to flag failed arguments for calls to expand_args()
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2025-01-17 10:40:34 -05:00 |
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5a45ef6994
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explain error message output for users
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2025-01-17 10:35:34 -05:00 |
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0cb64afc84
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explain error message output for users
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2025-01-17 09:13:55 -05:00 |
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7c4649adbf
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update TODO list and changelog
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2025-01-17 08:43:46 -05:00 |
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a4cc00041c
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add notes about errors and warnings and log output
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2025-01-17 05:13:25 -05:00 |
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1e179b2432
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address warnings reported by coverity scan
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2025-01-17 05:12:40 -05:00 |
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3b815c1bbe
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remove dead code
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2025-01-16 22:02:11 -05:00 |
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cf7695e99f
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add option to restart the LAMMPS instance to "Run" menu
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2025-01-16 21:43:36 -05:00 |
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1636a11054
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fix minor issues
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2025-01-16 21:22:41 -05:00 |
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fa54fd1097
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add option to suppress printing the last command
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2025-01-16 21:11:27 -05:00 |
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de5a41de7b
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simplifying svector handling for walls
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2025-01-16 15:37:16 -07:00 |
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57d47ebb4f
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Adding custom svector gransubmod quantities
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2025-01-16 15:32:12 -07:00 |
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b9a5557911
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Added support for single() and born_matrix()
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2025-01-16 14:36:44 -07:00 |
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1bcbf6dc4b
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Error to warning for overlap check
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2025-01-16 16:28:19 -05:00 |
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95152b1eb6
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Slight adjustments to overlap check
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2025-01-16 16:00:16 -05:00 |
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af8b873bf5
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Adding error message for initial overlaps
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2025-01-16 12:22:50 -07:00 |
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da5a12fcd1
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increase visibility of highlighting the failed argument
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2025-01-16 11:39:53 -05:00 |
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6c16b1de74
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must not set to unique if request is for skip list. only check for smallest pair cutoff.
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2025-01-16 10:26:48 -05:00 |
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f273116681
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prevent the neighbor list re-ordering from getting stuck
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2025-01-16 10:18:16 -05:00 |
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82598ab3ca
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display error messages with fixed width font
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2025-01-16 00:39:02 -05:00 |
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00f23d4829
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revert workarounds in compute rdf and adf now that the issue is fixed at the root
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2025-01-16 00:38:31 -05:00 |
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36dcb294b3
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we need tighter checks, also on the smallest pairwise cutoff, before we can re-use a default neighbor list for an occasional list with an explicit cutoff
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2025-01-16 00:23:47 -05:00 |
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f60139d374
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some more fixes to address coverity scan warnings.
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2025-01-15 23:12:39 -05:00 |
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8c93986e47
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add overloads for Error::all() and Error::one() that can point out the location of a faulty argument
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2025-01-15 23:12:11 -05:00 |
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b21f804e4e
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Fixing initialized overlap bug
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2025-01-15 20:00:19 -07:00 |
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6aa0c95c5e
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Removed more unnecessary input file lines
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2025-01-15 21:46:42 -05:00 |
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4cfe4831ed
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Removed unnecessary input file lines
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2025-01-15 21:13:08 -05:00 |
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0f462a60ff
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sign error, better variable name
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2025-01-15 14:40:08 -07:00 |
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c5e3ffed75
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Fixed merge conflict
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2025-01-15 14:14:51 -07:00 |
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b8fcb927ee
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Added forward comm for atomscale values
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2025-01-15 14:11:00 -07:00 |
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50f932ba9e
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Updating const expressions
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2025-01-15 13:06:10 -07:00 |
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a5e3e755c2
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Adding safety checks for some variables
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2025-01-15 11:33:02 -07:00 |
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