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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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2a487f5f47
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unit tests for beck, morse, and few LJ derivatives
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2020-08-01 07:27:39 -04:00 |
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74f50ed1bd
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Merge branch 'master' into collected-small-changes
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2020-07-31 21:51:10 -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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f0e6651780
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Merge branch 'first-test' of github.com:abhiShandy/lammps into collected-small-changes
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2020-07-30 11:46:06 -04:00 |
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facb2f3c27
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fix error in determining A/B parameters. outputs now match lj/mdf as expected.
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2020-07-30 11:44:37 -04:00 |
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36f4e6789a
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simple test for pair-born
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2020-07-30 03:30:57 -04:00 |
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8c849c0104
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add test file for pair style lennard/mdf
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2020-07-29 16:41:11 -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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17d59a4342
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small tweak
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2020-07-11 13:06:58 -04:00 |
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69052fa337
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add test for lj/mdf
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2020-07-05 00:28:02 -04:00 |
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4dee43cc2d
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adjust accepted relative error for compiler optimization, make pppm/disp inputs 3x faster
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2020-07-05 00:10:47 -04:00 |
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84ded03e24
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add tests for some core-shell package pair styles
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2020-07-04 23:43:15 -04:00 |
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585466929f
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add tests for pppm/disp/tip4p and lj/long/tip4p/long
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2020-07-04 23:21:57 -04:00 |
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a314b40aa0
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skip testing broken pppm/disp/intel style
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2020-07-04 23:07:50 -04:00 |
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6e580bbdb5
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add tests for long-range dispersion styles
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2020-07-04 22:55:59 -04:00 |
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2eec6c7f65
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exclude MSM tests when compiling with single precision
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2020-07-04 18:26:00 -04:00 |
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0461599d0a
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reduce base precision as required when running tests with pppm and FFT_SINGLE
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2020-07-04 18:13:55 -04:00 |
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df40ffddf3
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add some more tests for pair styles
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2020-07-04 17:24:28 -04:00 |
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ffe8e1c0e9
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add tests for kspace styles using the pair style tester tool
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2020-07-04 17:22:27 -04:00 |
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fcec94579c
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skip tests for single and extract when testing kspace styles (and pair styles are disabled)
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2020-07-04 17:21:51 -04:00 |
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75977367a1
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fix memory leak
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2020-07-04 17:21:19 -04:00 |
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f958cacbb4
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temporarily add atom style full to list of dependencies for Pair::single() test
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2020-06-29 19:36:06 -04:00 |
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ce4ca0e640
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tweak epsilon to make test pass with optimization
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2020-06-29 19:35:02 -04:00 |
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5c08ce0818
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nb3b/harmonic parameters are in real units
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2020-06-29 13:28:32 -04:00 |
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385d239b9e
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small tweak for passing r-RESPA tests with coulomb table
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2020-06-29 00:59:01 -04:00 |
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c989db60a7
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refactor EAM family of potentials to convert the potential data and leave compute functions alone
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2020-06-25 15:48:46 -04:00 |
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29b0ca8ad9
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fix bug in OPT package pair style tester
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2020-06-25 14:21:50 -04:00 |
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9e08a739b5
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add unit conversion test files for styles with conversion in the compute function
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2020-06-25 12:28:06 -04:00 |
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a7d2b792a8
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Merge branch 'master' into test-updates
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2020-06-24 17:25:55 -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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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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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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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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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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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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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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