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d88cf587b2
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add pair style coul/cut/global and fix restart/data bugs in coul/cut
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2021-04-10 00:25:00 -04:00 |
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190a689354
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Merge branch 'master' into gpu-unittest
# Conflicts:
# unittest/force-styles/test_pair_style.cpp
# unittest/force-styles/tests/angle-cosine_periodic.yaml
# unittest/force-styles/tests/mol-pair-born.yaml
# unittest/force-styles/tests/mol-pair-born_coul_dsf.yaml
# unittest/force-styles/tests/mol-pair-born_coul_long.yaml
# unittest/force-styles/tests/mol-pair-born_coul_msm.yaml
# unittest/force-styles/tests/mol-pair-born_coul_msm_table.yaml
# unittest/force-styles/tests/mol-pair-born_coul_wolf.yaml
# unittest/force-styles/tests/mol-pair-morse.yaml
# unittest/force-styles/tests/mol-pair-morse_smooth_linear.yaml
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2021-04-06 14:45:06 -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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154b8cb401
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remove dead code
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2021-03-19 11:42:09 -04:00 |
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cf5614e7d7
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change precision handling so we can on the GPU also run with mixed and single precision
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2021-03-01 22:44:24 -05:00 |
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e02ad44b8b
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GPU package does not support tabulated long-range coulomb
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2021-03-01 22:05:47 -05:00 |
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fb57d86364
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dpd and dpd/tsat may only run with 1 thread due to use of per-thread pRNG
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2021-03-01 21:45:36 -05:00 |
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6fa3e6d23e
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remove hardcoded checks for incompatible styles. use skip_tests keyword instead
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2021-03-01 21:44:41 -05:00 |
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205b45423c
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combine repetitive code into convenience function
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2021-03-01 20:07:19 -05:00 |
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74713be4a2
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add new key to YAML files: skip_tests
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2021-03-01 19:27:11 -05:00 |
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dfeee1f19b
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run neighbor list on CPU for hybrid pair styles
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2021-02-27 15:42:32 -05:00 |
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a6f32e472d
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add explanation why we set pair_modify table only in the lammps_init()
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2021-02-27 10:39:03 -05:00 |
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19311d408d
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use utils::trim() to remove extra whitespace from ctime() output.
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2021-02-26 23:10:43 -05:00 |
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fff215b48f
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Merge branch 'master' into gpu-unittest
# Conflicts:
# unittest/force-styles/tests/mol-pair-born.yaml
# unittest/force-styles/tests/mol-pair-born_coul_dsf.yaml
# unittest/force-styles/tests/mol-pair-born_coul_long.yaml
# unittest/force-styles/tests/mol-pair-born_coul_msm.yaml
# unittest/force-styles/tests/mol-pair-born_coul_wolf.yaml
# unittest/force-styles/tests/mol-pair-buck.yaml
# unittest/force-styles/tests/mol-pair-buck_coul_long.yaml
# unittest/force-styles/tests/mol-pair-buck_coul_msm.yaml
# unittest/force-styles/tests/mol-pair-lj_cubic.yaml
# unittest/force-styles/tests/mol-pair-morse.yaml
# unittest/force-styles/tests/mol-pair-tip4p_cut.yaml
# unittest/force-styles/tests/mol-pair-zbl.yaml
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2021-02-26 22:47:11 -05:00 |
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6bdf427522
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add unit tests for tersoff pair styles used with shift keyword
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2021-01-04 23:13:38 -05:00 |
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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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9c0808e95a
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update unit tests for move of version string location
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2020-09-19 15:00:03 -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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d0cffd83af
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Merge branch 'gpu-bugfix' into gpu-unittest
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2020-08-27 18:01:27 -04:00 |
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5ed24b330e
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add preliminary support for testing pair styles in the GPU package
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2020-08-23 21:46:18 -04:00 |
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e78100bdba
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add (partial) tests for pair styles dpd and dpd/tstat
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2020-08-22 22:00:13 -04:00 |
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f69dd734b2
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update format
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2020-08-08 14:48:11 -04:00 |
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7aae5ba5d1
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set molecule ids for testing interlayer potentials
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2020-08-07 18:34:25 -04:00 |
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1c33bff557
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add test for pair style yukawa/colloid
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2020-08-07 12:04:23 -04:00 |
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a42365bf90
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add support enforce writing a data file with pair ij as required by sdk styles
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2020-08-07 00:05:34 -04:00 |
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7ed748118e
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add exception for single test for colloid pair style
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2020-08-03 16:07:32 -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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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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