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cf81f72aad
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more tests for tokenizer classes
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2021-04-24 01:22:06 -04:00 |
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8c50f56548
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add unit test for TextFileReader class
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2021-04-24 00:31:46 -04:00 |
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9cdd926763
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remove excess quotes
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2021-04-23 19:19:41 -04:00 |
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a438c2bc7b
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tweak unit test YAML epsilon values for GPU mixed precision tests to pass
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2021-04-23 05:43:03 -04:00 |
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7e2d40c5fa
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Merge pull request #2642 from rbberger/balance_tests
MPI balancing testing
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2021-04-21 16:00:01 -04:00 |
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1656661fc2
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Disable rcb_min_size test
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2021-04-21 11:17:32 -04:00 |
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2e01bb8f62
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Merge pull request #2713 from rbberger/collected_small_changes
Collected small changes
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2021-04-20 20:40:49 -04:00 |
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7696d0f84c
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Add ENVIRONMENT to RunLammps test
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2021-04-20 15:40:59 -04:00 |
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fcf17a709e
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Don't store group if initial assignment failed
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2021-04-20 14:24:07 -04:00 |
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8826e962de
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Add info message when death test is skipped
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2021-04-20 14:06:08 -04:00 |
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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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bc4b4147ef
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Avoid filename collisions with AtomStyles test
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2021-04-19 14:57:41 -04:00 |
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c46f1b5241
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modify tests for hybrid pair styles to include some pair_coeff none settings
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2021-04-19 08:51:53 -04:00 |
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f3eb577b3b
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update hybrid tests, enable test for hybrid with CPU neigh list and no multiples of the same style
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2021-04-19 01:14:25 -04:00 |
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9469cba081
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enable GPU unit test for pair style lj/charmm/coul/charmm
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2021-04-19 00:34:22 -04:00 |
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f1680b0fdd
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enable unit test runs on the GPU for tersoff and tersoff/zbl
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2021-04-18 20:43:48 -04:00 |
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f07fa3d266
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Merge pull request #2704 from rbberger/compress_package
More refactoring of COMPRESS package
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2021-04-12 23:01:35 -04:00 |
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dba3cce883
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Make dump xyz/gz, xyz/zstd compatible to 'buffer no' option
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2021-04-12 20:03:58 -04:00 |
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47814292a1
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Make dump cfg/gz, cfg/zstd compatible to 'buffer no' option
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2021-04-12 19:57:27 -04:00 |
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0ca9f2e8a0
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Merge pull request #2699 from yury-lysogorskiy/feature/user-pace
USER-PACE pair_style integration into LAMMPS
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2021-04-12 17:05:40 -04:00 |
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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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0628bb89ce
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Merge branch 'master' into pair-hybrid-scaled
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2021-04-09 22:21:16 -04:00 |
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c16e4f241f
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replace "leaky" call to putenv() with setenv() on non-windows platforms
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2021-04-09 20:37:01 -04:00 |
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a69c5a5cae
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fix bugs in shell putenv and getenv style variables. add more unit tests.
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2021-04-09 20:19:04 -04:00 |
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e5ee210f58
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Make dump atom/gz, atom/zstd compatible to 'buffer no' option
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2021-04-09 18:02:55 -04:00 |
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242881af55
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Make dump custom/gz, custom/zstd compatible to 'buffer no' option
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2021-04-09 17:46:59 -04:00 |
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511f64fde4
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Update dump custom/gz
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2021-04-09 16:36:30 -04:00 |
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c17ee12989
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Update dump xyz/gz
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2021-04-09 15:57:17 -04:00 |
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cf41ea6faf
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Update dump local and local/gz
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2021-04-09 15:42:28 -04:00 |
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d19cd8fb11
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Fix test
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2021-04-09 14:49:45 -04:00 |
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dc71d80306
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Add dump local tests
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2021-04-09 14:49:07 -04:00 |
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2682663df6
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Use GzFileWriter in dump cfg/gz
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2021-04-09 11:41:45 -04:00 |
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7b53ce572c
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Merge branch 'master' into compress_package
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2021-04-09 10:58:39 -04:00 |
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08471cb88e
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update path to updated log file
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2021-04-09 10:29:36 -04:00 |
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73a33abb44
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add unit test for hybrid/scaled
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2021-04-09 00:32:06 -04:00 |
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492ddbbcfa
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simplify
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2021-04-08 09:32:24 -04:00 |
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74a3796418
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avoid ambiguous precedence through using parentheses. update unit test reference
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2021-04-08 09:29:18 -04:00 |
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8a233a5ec7
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add unit test reference data for USER-PACE
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2021-04-07 19:30:38 -04:00 |
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6569c2e434
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Merge pull request #2694 from akohlmey/neighlist-interface-updates
Neighbor list library/python interface improvements
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2021-04-07 16:25:38 -04:00 |
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5bdf032035
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Merge pull request #2308 from akohlmey/gpu-unittest
Add support for testing pair styles in the GPU package
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2021-04-07 15:03:03 -04:00 |
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7b18bc1fec
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correctly handle r-RESPA for lj/class2 and lj/class2/gpu
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2021-04-07 14:26:27 -04:00 |
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9af086916b
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skip GPU tests for a couple more tabulated coulomb tests
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2021-04-07 14:11:25 -04:00 |
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6909bc234a
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Merge pull request #2700 from rbberger/python_calls_refactor
Python package refactor
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2021-04-07 13:35:53 -04:00 |
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932ea80b25
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update reference data for angle style cosine/periodic
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2021-04-06 18:39:37 -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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5af294d49e
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Update test_potential_file_reader.cpp
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2021-04-06 16:47:06 -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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698b9b9519
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relax epsilon some more
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2021-04-06 13:36:27 -04:00 |
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db400c91ae
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relax error a little bit to avoid failure on macos
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2021-04-06 11:37:59 -04:00 |
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7e57d6a334
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add tests for "rerun"
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2021-04-05 16:01:27 -04:00 |
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