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661b0ee8b2
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cannot compare Pair::compute() vs. Pair::single for styles with coul/dsf or coul/wolf due to missing self energy
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2020-05-31 09:25:50 -04:00 |
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1452e6dfca
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reduce displacements in single test for pair styles
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2020-05-30 10:23:52 -04:00 |
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43171052d5
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fix multiple bugs in pair style tester for Pair::single()
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2020-05-29 23:46:37 -04:00 |
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6ed4103365
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synchronize flow of control and formatting between pair_style, bond_style and angle_style
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2020-05-28 21:11:38 -04:00 |
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78ad33eb2e
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USER-INTEL tweaks for REBO family. will have to file bug reports at some point.
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2020-05-27 16:37:05 -04:00 |
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7f699e9233
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fix verbosity handling issue in pair style tests
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2020-05-26 21:08:26 -04:00 |
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f1685afaa7
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correct logic and also skip for USER-OMP
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2020-05-26 18:42:47 -04:00 |
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0f8ff07da2
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skip over newton_pair == off tests if newton_pair is forced to be on
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2020-05-26 18:36:22 -04:00 |
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4f44159d56
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add a test for r-RESPA (only with newton on and for plain styles for now)
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2020-05-21 11:17:49 -04:00 |
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0788a8ee4f
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only collect the per-atom data specific to this test to compare against total pe.
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2020-05-21 11:06:11 -04:00 |
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f9e57392f3
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properly honor verbose/no-verbose run flag
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2020-05-21 01:14:02 -04:00 |
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2536076ce9
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cosmetic changes for consistent source formatting
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2020-05-20 07:40:37 -04:00 |
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76fb797264
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Simplify tests
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2020-05-20 04:12:48 -04:00 |
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34456294dd
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Cleanup
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2020-05-20 02:03:00 -04:00 |
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46e0c8b6b7
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Remove duplicated read_yaml_file function
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2020-05-20 01:32:50 -04:00 |
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73e766b933
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Remove another unneeded class
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2020-05-20 01:30:34 -04:00 |
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c0acb3a438
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Remove multiple definitions of STRINGIFY
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2020-05-19 23:15:22 -04:00 |
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c04a71a239
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add unit test framework for pair, bond, angle styles from progguide branch
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2020-05-19 22:24:31 -04:00 |
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