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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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6824b69ae9
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add missing include
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2020-06-24 09:38:55 -04:00 |
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ee5be42026
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avoid having to use external test runner script by parsing environment variables directly
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2020-06-24 09:32:59 -04:00 |
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9aea4e509e
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Revert "must also reissue hybrid pair style commands after restarts"
This reverts commit ddcc104df6.
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2020-06-23 09:50:17 -04:00 |
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b8866c9acc
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add tests for MLIAP (same data as SNAP)
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2020-06-23 09:35:00 -04:00 |
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ddcc104df6
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must also reissue hybrid pair style commands after restarts
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2020-06-23 09:21:47 -04:00 |
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66414067c8
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add tests for SNAP package
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2020-06-23 06:51:42 -04:00 |
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1e8ea3af82
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add comparisons for pressure (atm vs. bar)
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2020-06-23 00:10:46 -04:00 |
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bfef46539f
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add unit conversion test for pair style sw
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2020-06-22 23:29:33 -04:00 |
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a7436a7b76
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adjust lj/cut parameters to produce smaller forces
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2020-06-22 23:28:58 -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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b29b3d52f6
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initial implementation of automated unit conversion.
this includes a tester program and implementation into pair style tersoff
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2020-06-22 17:57:05 -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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4d630904b4
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relax a few more test criteria to be compatible with intel compilers
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2020-06-19 11:43:59 -04:00 |
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343241cb63
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relax some test epsilons
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2020-06-19 00:43:11 -04:00 |
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e934f7bac3
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try to work around linker issues with older CMake versions and using coverage or sanitizers
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2020-06-19 00:20:20 -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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5e597e551b
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avoid false positive
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2020-06-18 12:39:40 -04:00 |
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786473a189
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allow sanitizers also be active for force style test codes
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2020-06-18 12:39:23 -04:00 |
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b0842a3fea
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tell GNU gcc to not try to optimize the atom style tester tool
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2020-06-18 11:45:56 -04:00 |
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41995b4665
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avoid false positives about memory leaks in force tester tools
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2020-06-18 11:45:26 -04:00 |
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753eb9b76d
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add tests for atom style charge
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2020-06-17 21:17:42 -04:00 |
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a200756d7b
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remove a bunch of redundant tests and add checking for restarts and consecutive atom ids
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2020-06-17 20:40:04 -04:00 |
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5bb9700124
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ensure that a LAMMPS instance could be created and the eim pair style is available
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2020-06-17 18:12:12 -04:00 |
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afe874ac5b
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add test for using write_data/read_data for atom style atomic
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2020-06-17 18:11:45 -04:00 |
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27f1ce71fd
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now also check all 'xxx_flag' variables
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2020-06-17 07:42:50 -04:00 |
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73c7ed1e9c
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start test for atom style charge
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2020-06-17 01:42:41 -04:00 |
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e88bb9dd59
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call MPI_Finalize() so we don't have spurious memory leaks from MPI reported by valgrind
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2020-06-17 01:42:17 -04:00 |
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61ace42e72
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check status of all per-atom fields
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2020-06-17 01:25:56 -04:00 |
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49af2c25ec
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add tester for atom styles
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2020-06-17 00:11:18 -04:00 |
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d8fbb5a16b
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Merge branch 'commands-tests' into collected-small-changes
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2020-06-16 16:39:33 -04:00 |
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73a7fb53ff
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add infrastructure and first example for testing standalone LAMMPS input commands
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2020-06-16 12:52:35 -04:00 |
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093c285475
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use GMock initializer instead of GTest
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2020-06-16 06:37:35 -04:00 |
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436c7615e0
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set metal units and add option to do verbose execution to EIM potential tester
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2020-06-16 06:37:09 -04:00 |
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b5a809413e
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set units for potential file reader tests. allow verbose execution.
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2020-06-16 06:19:31 -04:00 |
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05319cae66
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updates for using {fmt} and reordering of include statements exposing hidden includes
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2020-06-15 16:55:38 -04:00 |
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05d1924d62
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update for using {fmt}
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2020-06-15 16:48:20 -04:00 |
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14c22a004a
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Merge branch 'master' into use-clang-format-demo
# Conflicts:
# unittest/force-styles/pair_style.cpp
# unittest/utils/test_utils.cpp
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2020-06-15 16:14:13 -04:00 |
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65ff6bb617
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Require clang-format >= 8.0
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2020-06-15 14:59:43 -04:00 |
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c987dfb2c9
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Merge pull request #2156 from akohlmey/collected-small-changes
Collected changes for the next patch release
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2020-06-15 14:40:27 -04:00 |
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e840fa23f1
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Add format-tests target
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2020-06-15 11:21:43 -04:00 |
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149571873f
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avoid illegal read after delete
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2020-06-14 19:35:09 -04:00 |
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7d9e0076c7
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update some test yaml files
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2020-06-14 17:01:28 -04:00 |
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0481184862
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add utility function to get the units tag value from a potential file
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2020-06-14 06:22:47 -04:00 |
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8739067593
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implement method to pass command line flags to test programs when run through ctest
based on the suggestion at: https://stackoverflow.com/questions/28812533/how-to-pass-command-line-arguments-in-ctest-at-runtime
but customized for the force-style tests
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2020-06-13 11:19:56 -04:00 |
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0e708469b6
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add unittest for ErrorStats class
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2020-06-13 02:49:12 -04:00 |
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d5d28bcbd2
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use fmt::format() for error_stats output.
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2020-06-13 02:11:21 -04:00 |
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9c3d108bbc
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enable aligning consecutive assignments
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2020-06-13 02:05:13 -04:00 |
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3db944decc
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apply clang-format settings to the c++ sources in the unittest tree
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2020-06-13 01:54:58 -04:00 |
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4d62ea98cf
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add clang-format configuration file for the unittest tree
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2020-06-13 01:51:16 -04:00 |
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