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a942d8b3ba
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use memset() for clearing of arrays
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2018-11-14 05:30:23 -05:00 |
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7a22b8aa62
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check only in currently added data file atoms for dihedral overflow
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2018-11-14 05:29:26 -05:00 |
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4d52cb9245
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more buffer overflow avoiding through using snprintf()
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2018-09-06 09:57:43 -04:00 |
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e4071d7f46
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replace C-style include files with their C++ equivalents
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2018-04-27 18:00:24 -04:00 |
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59dbb49cf9
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remove trailing whitespace
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2018-03-16 12:37:27 -04:00 |
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ee862d8bf5
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replace leading tabs
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2018-03-16 12:34:33 -04:00 |
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bba4bd1489
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support offsets for molecule IDs (if available) in read_data similar to atomIDs
suggested by felipe perez in https://sourceforge.net/p/lammps/mailman/message/36236631/
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2018-02-23 18:02:05 -05:00 |
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aa3f4b7690
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change the handling of reading "extra XXX per atom", so that the final choice is the larger of the value in the file and the keyword
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2017-06-29 16:09:23 -04:00 |
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38075455b6
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new keywords for read_data: extra/X/per/atoms + changes to docs
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2017-06-28 17:55:30 -07:00 |
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218e121b41
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Merge branch 'master' into bounds-error-with-code-line
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2016-10-28 11:11:28 -04:00 |
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d9891abdf4
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new library functions
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2016-10-27 09:34:04 -06:00 |
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f9a9e27f5a
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add error location propagation to atom->set_mass() and atom->check_mass()
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2016-10-26 16:01:40 -04:00 |
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547dd3edc8
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2016-07-02 21:03:48 +00:00 |
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88812c44fb
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2016-07-01 23:31:09 +00:00 |
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2016-07-01 14:21:54 +00:00 |
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2016-04-22 17:54:49 +00:00 |
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2016-04-07 21:04:44 +00:00 |
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2016-01-11 22:00:15 +00:00 |
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2015-12-17 23:05:20 +00:00 |
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2014-01-25 22:46:08 +00:00 |
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