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a6efdf9b9f
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Clean up molecule files creation
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2021-04-19 15:14:01 -04:00 |
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b6776ca3de
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Remove GCC optimization pragma for GCC < 4.9 due to compiler segfault
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2021-04-06 16:48:18 -04:00 |
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66e885b6e5
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Merge branch 'master' into collected-small-changes
# Conflicts:
# src/USER-YAFF/pair_lj_switch3_coulgauss_long.cpp
# src/USER-YAFF/pair_mm3_switch3_coulgauss_long.cpp
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2021-04-02 17:57:54 -04:00 |
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eea2f45a95
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force newton bond to be on since we don't support it to be off (yet)
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2021-03-30 17:19:28 -04:00 |
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aaf9aa6d69
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Refactoring of more tests
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2021-03-29 14:27:42 -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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6158802974
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add support for testing per-atom properties with fix property/atom
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2021-03-14 17:18:03 -04:00 |
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21c3a51557
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skip unsupported GCC pragma
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2020-12-15 20:47:40 -05:00 |
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569a000e6b
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reformat unittest sources with clang-format
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2020-11-25 16:51:41 -05:00 |
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4a8c458634
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Update comment
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2020-11-13 17:21:41 -05:00 |
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bfd71f330b
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Simplify other AtomStyles tests
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2020-11-13 17:03:52 -05:00 |
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5d79ba12d7
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Use macro for better message during failure
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2020-11-13 15:14:40 -05:00 |
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504e675023
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Splitting up long test methods
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2020-11-13 13:21:49 -05:00 |
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e6c844d719
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Simplify template and template_charge test cases
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2020-11-13 13:11:16 -05:00 |
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00557e00a4
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Add AtomState struct and ASSERT helpers
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2020-11-13 12:35:25 -05:00 |
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26a8d875e9
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whitespace fix
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2020-10-29 14:52:22 -04:00 |
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f2b9db0de4
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update atom style tester to test replicate for atom style template
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2020-10-29 06:21:54 -04:00 |
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bf87c0dc56
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add (incomplete) unit test for atom style template
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2020-10-28 15:43:36 -04:00 |
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adf74b3a22
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use https://lammps.sandia.gov based URLs consistently
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2020-10-21 16:45:30 -04:00 |
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774bffe623
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relax result precision requirement somewhat
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2020-09-20 13:57:04 -04:00 |
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f7a939dec2
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update atom_style tester for new jacobi implementation
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2020-09-16 10:25:03 -04:00 |
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47b3039b28
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update unit tests, too
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2020-09-11 19:24:32 -04:00 |
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f19ce32bf5
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a few more small tweaks
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2020-09-04 09:42:11 -04:00 |
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458243604b
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change atom style tests expand covered code paths: tiled vs. brick comm, orthogonal vs. triclinic. relax floating point check precision
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2020-08-05 19:27:59 -04:00 |
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ac08bcadf7
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use bbox keyword on some replicate commands to increase code coverage
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2020-08-05 18:49:05 -04:00 |
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814e2e9aaf
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turn off optimization for Clang compilers when compiling atom style tester
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2020-07-30 23:41:24 -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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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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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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ab683a03ad
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start tester for atom style hybrid full ellipsoid
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2020-07-10 00:12:57 -04:00 |
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f71513f483
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update for atom style ellipsoid tester
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2020-07-09 11:56:07 -04:00 |
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cc9df9a76d
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add test module for atom style line
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2020-07-09 11:55:52 -04:00 |
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4da8ec39de
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complete testing ellipsoids short of having restart support.
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2020-07-08 21:13:28 -04:00 |
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94e9b3bc82
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rename reset_ids command to reset_atom_ids
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2020-07-07 13:32:00 -04:00 |
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7e140399db
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add (initial) testing for ellipsoid atom style
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2020-07-07 12:36:17 -04:00 |
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2af8d7a751
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add argument passing via TEST_ARGS environment variable to all tests with an explicit main function
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2020-06-24 10:17:23 -04:00 |
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ae0957bd61
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use atom id instead of local index to test per-atom data
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2020-06-22 22:19:55 -04:00 |
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ab42123005
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add test for atom style sphere
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2020-06-21 16:56:04 -04:00 |
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dfe860c4bb
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update coding style
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2020-06-18 13:34:34 -04:00 |
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