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211df8b7b0
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Avoid assertions in PythonCapabilities check when using external KOKKOS
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2021-10-01 11:08:02 -04:00 |
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56cd66a6c3
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Merge branch 'master' into parse-logical-keyword
# Conflicts:
# src/H5MD/dump_h5md.cpp
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2021-09-29 23:05:59 -04:00 |
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24c9bd4cd2
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silence output from hwloc when launching LAMMPS
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2021-09-24 23:42:33 -04:00 |
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422cab8878
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update suffix command unit tests
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2021-09-23 07:30:50 -04:00 |
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914f035475
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a few more converted commands and updates for unit tests
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2021-09-21 17:23:41 -04:00 |
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41a3eccd1c
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apply utils::logical() to more commands
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2021-09-21 07:48:50 -04:00 |
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6adac6b637
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Merge branch 'master' into parse-logical-keyword
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2021-09-20 20:41:48 -04:00 |
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6e8091470c
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update death tests for change in error message
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2021-09-20 20:31:13 -04:00 |
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61c71c6605
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return int instead of bool to minimize code changes
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2021-09-19 18:07:56 -04:00 |
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bfa2ea1fba
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expand tests for numeric values
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2021-09-19 16:38:01 -04:00 |
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db76edbade
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implement utils::current_date() convenience function to reduce replicated code
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2021-09-18 09:05:35 -04:00 |
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cef100991f
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add utils::logical() function to complement the *numeric() functions
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2021-09-16 17:52:51 -04:00 |
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3caa066c28
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simplify/optimize code
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2021-09-15 16:23:07 -04:00 |
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6ef8c12457
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whitespace
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2021-09-09 23:05:30 -04:00 |
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7b1e951916
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add unit test for checking properties parsed from info command output
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2021-09-09 21:13:09 -04:00 |
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a954ddac5a
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add missing "private"
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2021-09-09 18:03:17 -04:00 |
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4e92c68244
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allow skipping fix timestep tests when LAMMPS was compiled for static libs
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2021-09-08 23:41:31 -04:00 |
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8c3924352d
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only check for meminfo[2] on platforms we know to be supported
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2021-09-08 23:02:56 -04:00 |
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9cdb83a24d
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support utils::guesspath() also on Windows
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2021-09-08 18:17:14 -04:00 |
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04748779fd
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tweak epsilon for portability to FreeBSD
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2021-09-08 15:41:43 -04:00 |
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cfa94dfbaf
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add support for utils::guesspath() on macos
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2021-09-08 15:14:06 -04:00 |
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9bc8e0998e
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must use Python3 version of imported target
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2021-09-07 13:34:07 -04:00 |
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909376b14b
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Merge branch 'master' into collected-small-changes
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2021-09-07 13:32:21 -04:00 |
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29505404bc
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add unit test for checking the impact of lammps_python_finalize()
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2021-09-06 17:42:18 -04:00 |
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898f8086db
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consolidate binary() member functions of Comm and Balance into utils::binary_search()
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2021-09-06 16:58:14 -04:00 |
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b8ed4b28b3
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add test for fix adapt with hybrid pair
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2021-08-31 14:28:09 -04:00 |
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4be33df8fb
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relax force test epsilon values a little for cross-platform tests
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2021-08-27 14:57:31 -04:00 |
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c7357d5731
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Merge remote-tracking branch 'github/master' into collected-small-changes
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2021-08-26 05:30:50 -04:00 |
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e3af1544f1
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Merge pull request #2804 from Vsevak/tip4p_fix_types
Fix atom types handling in the tip4p/gpu kernels
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2021-08-26 01:08:19 -04:00 |
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8468d89ec8
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tweak epsilon for passing test on macOS
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2021-08-25 23:31:53 -04:00 |
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cc98f9b1e6
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add unit test
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2021-08-25 07:42:37 -04:00 |
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b55673f0a6
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add unit test
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2021-08-25 07:42:37 -04:00 |
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61b9d4a19f
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update epsilon
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2021-08-25 07:42:37 -04:00 |
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ccbf39d2c9
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add unit tests using pppm and ewald with a tilted box
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2021-08-24 16:00:26 -04:00 |
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2150fb7413
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adjust epsilon for portability
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2021-08-24 15:41:42 -04:00 |
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2239130798
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randomize bilayer data file positions to make interlayer tests more reliable
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2021-08-24 15:41:28 -04:00 |
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25d9d5dfff
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Merge pull request #2895 from rbberger/python_coverage_fix
Use .coveragerc to configure Python coverage reporting
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2021-08-24 14:07:23 -04:00 |
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a26da031aa
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Use .coveragerc to configure Python coverage reporting
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2021-08-24 11:27:30 -04:00 |
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862cb43fa9
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Enable unittest for GPU lj/cut/tip4p/long
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2021-08-24 17:07:51 +03:00 |
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cb19806020
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update ReaxFF reference data due to use of more precise constants in fix qeq/reax
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2021-08-23 20:34:44 -04:00 |
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d44edeb32e
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make clang-format custom targets in CMake similar to the ones in GNU make
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2021-08-23 18:36:44 -04:00 |
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6bc8da05b9
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reformat unittest tree with clang-format
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2021-08-23 17:06:30 -04:00 |
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8b2e3ad3ee
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add unit tests for fix addtorque
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2021-08-22 14:27:38 -04:00 |
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bb852f2393
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skip some more aliased styles
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2021-08-22 14:21:31 -04:00 |
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bb5a11b330
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add timestepping unit tests for atom style sphere
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2021-08-22 14:16:50 -04:00 |
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bf618b3128
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support tests for integrators with dipoles and extended particles
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2021-08-22 12:44:02 -04:00 |
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d9538a4745
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skip some aliases when checking for missing force style tests
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2021-08-22 11:55:37 -04:00 |
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db887b4d7a
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add unit test for angle style dipole
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2021-08-22 11:49:29 -04:00 |
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433ece22ec
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add unit test for dihedral style spherical
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2021-08-22 11:28:32 -04:00 |
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eeff288541
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tweak settings to pass OpenCL GPU tests in mixed precision
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2021-08-22 10:50:28 -04:00 |
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