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88cedc2784
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add a bunch of tests for utils::strmatch()
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2020-05-31 10:36:44 -04:00 |
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4a21ad7b3d
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expand tests for valid and invalid numbers
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2020-05-31 10:14:09 -04:00 |
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bb8f6e94d3
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Merge pull request #2113 from rbberger/tokenizer
Refactoring to reduce strtok usage
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2020-05-30 21:13:12 -04:00 |
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1375c154f9
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Update pair eim
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2020-05-29 14:58:04 -04:00 |
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10b0d60709
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Fix typo
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2020-05-29 14:56:10 -04:00 |
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99c0c1ace1
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simplify parsing of equilibrium data
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2020-05-29 08:22:34 -04:00 |
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7d62fd5106
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remove debug code
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2020-05-29 08:22:23 -04:00 |
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797ba373c4
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simplify reading key/value pairs from string
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2020-05-28 22:38:23 -04:00 |
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08ee1cb4fa
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add single test to angle_style, add support for equilibrium data
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2020-05-28 22:38:07 -04:00 |
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47e4da4903
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add support for writing/reading equilibrium bond/angle data
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2020-05-28 22:20:43 -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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9fc6abb2ef
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add tests for pair style polymorphic
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2020-05-28 20:43:26 -04:00 |
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5a4bbcc37a
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Update pair vashishta
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2020-05-28 16:17:15 -04:00 |
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cadc374e0b
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Update pair nb3b harmonic
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2020-05-28 16:05:56 -04:00 |
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e206647717
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Update pair gw zbl
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2020-05-28 15:56:36 -04:00 |
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2632d30970
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Update pair gw
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2020-05-28 15:44:53 -04:00 |
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f5d8417d96
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Update pair tersoff zbl
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2020-05-28 10:36:20 -04:00 |
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c0324e55ad
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Update pair tersoff mod c
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2020-05-28 10:06:43 -04:00 |
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d3e160f3d0
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tweak epsilon for gcc 10
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2020-05-28 10:00:13 -04:00 |
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8329a5498b
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Move NPARAMS_PER_LINE to parent classes
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2020-05-28 09:48:34 -04:00 |
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2eaf710488
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Hide stdout during tests
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2020-05-28 08:01:54 -04:00 |
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2710a22574
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Merge branch 'master' into tokenizer
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2020-05-28 07:33:10 -04:00 |
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51c632acd4
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increase code coverage for pair_eam_cd.cpp
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2020-05-28 06:25:35 -04:00 |
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e0ee0986fd
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tweak pair style bop unit tests to increase code coverage
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2020-05-28 06:20:22 -04:00 |
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013756bfa7
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add tests for AIREBO/REBO family of potentials
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2020-05-27 16:37:36 -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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a1216c4fb2
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remove unused variable definition
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2020-05-27 13:35:17 -04:00 |
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9142d4893d
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make sure we compile and link against mpi_stubs when BUILD_MPI is disabled
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2020-05-27 13:35:07 -04:00 |
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507064d45d
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Add Tersoff potential file read test
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2020-05-27 13:13:50 -04:00 |
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6d339c8b03
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Add unit tests for PotentialFileReader
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2020-05-27 13:02:39 -04:00 |
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caa43c7ed6
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Merge remote-tracking branch 'akohlmey/more-pair-style-tests' into tokenizer
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2020-05-27 12:59:32 -04:00 |
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bb57e90a27
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add test for tabulated manybody styles
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2020-05-27 12:31:19 -04:00 |
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efbf9807d1
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tests for MANYBODY almost complete
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2020-05-27 10:59:12 -04:00 |
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3415ccd60d
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Merge branch 'more-pair-style-tests' into tokenizer
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2020-05-27 09:37:22 -04:00 |
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b5b66d0e78
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tweak bop test to run faster
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2020-05-27 08:50:20 -04:00 |
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51e3cba0ba
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tweak error margins to pass with gcc 9.x plus Release setting
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2020-05-27 06:59:58 -04:00 |
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66e34f541c
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four more
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2020-05-27 06:43:37 -04:00 |
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29bd22a7ea
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add tests for eam/cd and eim
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2020-05-26 21:08:39 -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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541ab46e97
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add tests for comb and comb3
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2020-05-26 19:58:24 -04:00 |
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151d1fb42b
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cosmetic updates
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2020-05-26 19:55:54 -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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c91cad5155
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add test for bop
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2020-05-26 18:36:33 -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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dff78c19aa
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add tests for pair styles adp, atm, sw and tersoff and new data/input
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2020-05-26 18:22:21 -04:00 |
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73b537f6c3
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Make sure include directories are passed to test binaries
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2020-05-21 15:06:08 -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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b8544de37b
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tweak error margin
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2020-05-21 01:30:04 -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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