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eb91c6feb6
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correct data file output format for ZBL style. update reference output.
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2020-08-01 14:43:14 -04:00 |
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cc87557fa7
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tweak parameters for lj/expand to stabilize test run
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2020-08-01 14:24:50 -04:00 |
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6827eb80a8
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fix missing initialization bug in lj/cut/coul/wolf and update reference data
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2020-08-01 14:18:40 -04:00 |
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a4db52c30f
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tweak potential parameters for better stability of test run
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2020-08-01 14:05:27 -04:00 |
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d15db7b5a7
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fix the atomic numbers in ZBL test
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2020-08-01 07:49:06 -04:00 |
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86c53cb211
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unit tests for few LJ derivatives and ZBL
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2020-08-01 07:39:33 -04:00 |
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59b5c7c154
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Merge pull request #2264 from akohlmey/fix_ttm_parser_update
Refactor parsing of input files in fix ttm and fix ttm/mod
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2020-07-31 18:14:54 -04:00 |
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067540fef1
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diversify exponents in mie/cut test
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2020-07-31 12:11:24 -04:00 |
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1017b76c71
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reformat pair_coeff section in buck test for better readability
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2020-07-31 12:08:00 -04:00 |
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12924346ac
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unit tests for born, buck, lj96 and mie cut
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2020-07-31 11:46:51 -04:00 |
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4b91ab0d23
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add utils::trim() function to remove leading and trailing whitespace from string
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2020-07-30 23:39:37 -04:00 |
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780fb5b376
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add test function to validate updated topology data after reset_atom_ids
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2020-07-27 10:43:37 -04:00 |
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68df62b869
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support verbose option
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2020-07-20 20:40:20 -04:00 |
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5b4275002c
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Merge branch 'master' into kim_fix
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2020-07-20 20:27:41 -04:00 |
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1f819ca333
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update the kim_param command test
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2020-07-19 18:35:20 -05:00 |
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3390e1d4c5
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starting of the kim_property command test
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2020-07-19 18:10:00 -05:00 |
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674514f822
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update the kim_param command test
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2020-07-19 10:35:00 -05:00 |
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262ce37eed
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silence compiler warning
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2020-07-19 07:19:44 -04:00 |
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82f5bbf859
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update the kim_interactions command test
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2020-07-18 20:31:36 -05:00 |
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894a7e4bce
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update test
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2020-07-18 21:10:22 -04:00 |
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bc47ec5027
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update the kim_init command test
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2020-07-18 17:23:24 -05:00 |
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859da19869
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consistently skip death tests at runtime when using OpenMPI without exceptions
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2020-07-18 13:09:17 -04:00 |
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e0200cf3d7
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consistently skip death tests at runtime when using OpenMPI without exceptions
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2020-07-18 13:02:38 -04:00 |
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0748b12472
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when processing quoted strings, the quotes need to be removed
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2020-07-17 13:58:15 -04:00 |
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cdbcacffce
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when processing quoted strings, the quotes need to be removed
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2020-07-17 10:23:07 -04:00 |
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5fe83755b8
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start tester tool for KIM commands
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2020-07-17 02:23:48 -04:00 |
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bf37e6aae1
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Merge branch 'master' into write-bonus-data
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2020-07-15 15:20:34 -04:00 |
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2fb0f95324
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check against BODY package for body styles
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2020-07-14 18:41:52 -04:00 |
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ad818717cc
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complete tester module for atom style body/nparticle
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2020-07-14 18:36:50 -04:00 |
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d3392dba45
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update tester some more
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2020-07-14 13:59:55 -04:00 |
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fd2b5b1cd8
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switch completed section from EXPECT to ASSERT
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2020-07-14 12:45:54 -04:00 |
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d6e6b840e9
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update body/nparticle tester
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2020-07-14 11:06:06 -04:00 |
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18928c6602
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start writing tester for body/nparticle
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2020-07-14 08:11:18 -04:00 |
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ea1d447703
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fix bug in tester for atom style tri
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2020-07-13 21:49:18 -04:00 |
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3847a3000c
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paranoia
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2020-07-12 21:40:30 -04:00 |
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db289ba0b3
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update all force style reference results after refactoring of test codes
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2020-07-12 20:36:10 -04:00 |
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24b5cd7dec
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rename test programs to be consistent with the other programs in the unittest tree
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2020-07-12 19:22:14 -04:00 |
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9cbb2e9df5
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refactor force-style tester programs to get rid of stringstream and local buffers
this uses now fmtlib and also outputs forces sorted by atom id
similarly, for all tests it is make certain that the local tag variable is updated
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2020-07-12 19:17:51 -04:00 |
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38011f6ac4
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add test for pair style kim
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2020-07-12 17:21:35 -04:00 |
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00413ae956
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add test for atom style tri
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2020-07-12 16:32:59 -04:00 |
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8f95b4a5d9
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add tests for deleted bonds and angles to bond/angle tests suites
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2020-07-12 15:48:21 -04:00 |
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8eb7791342
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avoid googletest stalling on exit tests when using OpenMPI
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2020-07-11 13:15:16 -04:00 |
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e6a8f3c8c0
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use parenthesis to correct precedence
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2020-07-11 13:10:37 -04:00 |
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17d59a4342
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small tweak
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2020-07-11 13:06:58 -04:00 |
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d32000239b
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refactor tester
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2020-07-11 13:05:03 -04:00 |
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a28db101cc
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add checks for atom style bond with newton off. add basic test for atom style angle
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2020-07-10 17:44:05 -04:00 |
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a402de41b7
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finalize atom style tester changes
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2020-07-10 10:47:30 -04:00 |
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772d75a63a
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update tester for renaming reset_ids to reset_atom_ids
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2020-07-10 10:29:55 -04:00 |
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df63d4147d
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Merge branch 'reset-molecules' into write-bonus-data
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2020-07-10 10:25:08 -04:00 |
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8102045fdb
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add initial implementation for atom style bond tester
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2020-07-10 10:24:54 -04:00 |
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