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ea808b8563
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Merge branch 'master' into more-unittests
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2021-03-29 15:27:26 -04:00 |
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180d2895c4
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Merge pull request #2678 from akohlmey/collected-small-changes
Collected small changes and fixes
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2021-03-29 14:05:08 -04:00 |
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dbc30f9c19
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Merge pull request #2683 from akohlmey/pair-map-refactor
Refactor element to type mapping code in pair styles
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2021-03-29 12:15:02 -04:00 |
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1e3f1c584c
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simplify by using utils::strdup() fmt::format() and reorder includes
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2021-03-29 08:12:37 -04:00 |
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806f4e73ed
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make dihedral style table/cut a derived class from table and remove redundant code
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2021-03-29 07:32:43 -04:00 |
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e481eb1154
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simplify by using utils::strdup() fmt::format() and reorder includes
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2021-03-29 07:29:14 -04:00 |
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b32570c15e
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simplify by using utils::strdup() and reorder includes
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2021-03-28 22:22:13 -04:00 |
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31726f56e6
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refactor group2ndx and ndx2group commands to use fmtlib, tokenizer and utils
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2021-03-28 14:48:39 -04:00 |
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dfb18caf5a
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simplify using utils::strdup(), update order of include files
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2021-03-27 16:25:55 -04:00 |
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436be824e1
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use std:: namespace for STL containers
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2021-03-27 12:10:40 -04:00 |
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0b73ab96d2
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avoid replicated code, consolidate variables and element mapping
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2021-03-27 12:09:36 -04:00 |
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35abca1b40
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we should include <strings.h> when using strcasecmp()
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2021-03-27 11:18:59 -04:00 |
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e85f945d8e
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fix typos
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2021-03-26 23:12:29 -04:00 |
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1752bd0276
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Refactoring of some test files
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2021-03-26 12:23:58 -04:00 |
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664335420a
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Start refactoring tests
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2021-03-26 11:50:58 -04:00 |
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b1efdda75c
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Merge remote-tracking branch 'origin/master' into more-unittests
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2021-03-26 11:35:22 -04:00 |
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756d935d06
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use std:: namespace for STL containers
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2021-03-25 21:13:24 -04:00 |
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53f32cea7e
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simplify using utils::strdup()
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2021-03-25 19:42:41 -04:00 |
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2baafda517
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simplify
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2021-03-25 17:19:11 -04:00 |
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2b34d88b71
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fix bug
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2021-03-25 17:19:03 -04:00 |
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4efe60ec43
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compatibility with older CMake versions
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2021-03-25 17:14:57 -04:00 |
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27e31c4b15
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simplify
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2021-03-25 14:49:49 -04:00 |
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28ac1fddc7
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add tests for fix adapt with pairwise and coulomb interactions
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2021-03-25 14:20:44 -04:00 |
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6d6e2a7920
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add simple check whether the compiled executable can actually run
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2021-03-24 21:51:55 -04:00 |
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a772c3b7d2
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test a few more functions and constants
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2021-03-24 21:27:32 -04:00 |
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47b7653d4d
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Merge pull request #2653 from rbberger/code_coverage
Add tests to increase code coverage
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2021-03-24 20:57:46 -04:00 |
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d04d326413
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more tests for expressions and vector style variables
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2021-03-24 18:02:30 -04:00 |
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55b0e33200
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fix typo
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2021-03-24 18:01:48 -04:00 |
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aab51fe70e
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more coverage of utility functions in Variable class
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2021-03-24 16:47:56 -04:00 |
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157698543f
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add tests for "next" command
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2021-03-24 16:47:08 -04:00 |
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407212153f
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create more variables of different styles
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2021-03-24 15:14:58 -04:00 |
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cc54f553e0
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complete tests for if command booleans
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2021-03-24 14:35:48 -04:00 |
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51946205ce
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add YAML files for MLIAP nn and quadratic snap model input
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2021-03-24 12:26:07 -04:00 |
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487c55edf0
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simplify and apply clang-format
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2021-03-24 11:24:55 -04:00 |
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b6a030532d
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add tests for boolean evaluation in "if" command
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2021-03-24 10:33:00 -04:00 |
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67f1f12c20
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more tests for expressions
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2021-03-23 21:42:45 -04:00 |
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85d1257222
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move redundant enumerator to Variable class definition in variable.h
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2021-03-23 21:41:50 -04:00 |
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4f46ee30a2
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avoid crash when functions expecting an argument are used without
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2021-03-23 18:13:01 -04:00 |
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346c36e227
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replace redundant functions to handle constants with (unordered) map
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2021-03-23 17:48:47 -04:00 |
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1efd72eb58
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a couple more expressions and functions
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2021-03-23 16:55:05 -04:00 |
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1ebb600829
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add tests for expressions and functions
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2021-03-23 16:47:40 -04:00 |
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014f9ad527
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simplify Variable::parse_args() by using Tokenizer class
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2021-03-23 16:47:04 -04:00 |
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16c08516a7
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test definition of more different variable styles
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2021-03-23 16:14:40 -04:00 |
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08d4fec142
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add framework for testing the variable command
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2021-03-23 14:38:54 -04:00 |
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73b9f22681
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Merge pull request #2675 from jrgissing/bond/react-tweak-recent-updates
Bond/react: tweak recent updates
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2021-03-23 13:51:48 -04:00 |
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b7296b6d0b
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consolidate documentation for dihedral styles table and table/cut into one file
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2021-03-23 13:49:37 -04:00 |
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403a7a6f84
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Merge pull request #2677 from stanmoore1/kk_snap_opt
Optimizations to Kokkos SNAP
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2021-03-23 13:32:02 -04:00 |
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875327117b
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add unit test for dihedral styles table and table/cut
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2021-03-23 08:07:35 -04:00 |
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4b076e01be
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silence compiler warning
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2021-03-22 21:36:33 -04:00 |
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ca1496e028
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simplify
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2021-03-22 21:36:25 -04:00 |
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