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9f9a5ca76f
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Merge branch 'develop' into region-lookup-refactor
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2022-04-22 22:53:02 -04:00 |
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c054edda6b
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allow larger error margin for pressure computes
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2022-04-22 13:22:01 -04:00 |
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aa4787f604
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complete region handling refactor
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2022-04-16 00:17:39 -04:00 |
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51c41f09bf
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recover unit tests for variables
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2022-03-28 09:21:25 -04:00 |
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87c96aeeb1
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add tests for more compute styles
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2022-03-05 10:07:54 -05:00 |
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b94995cf5b
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add some TALLY package compute. simplify some code with convenience functions
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2022-03-04 06:24:37 -05:00 |
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550d523c9e
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add gyration
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2022-03-04 04:41:43 -05:00 |
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3bfb03bcb8
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test compute com and compute dipole
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2022-03-03 17:27:11 -05:00 |
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e4d920d582
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add minimal test for testing compute styles that compute global scalars
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2022-03-03 17:11:01 -05:00 |
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7ee7d0c570
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apply clang-format
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2022-01-30 17:18:40 -05:00 |
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6ff157a099
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use quoting to avoid issues with blanks and special characters
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2022-01-29 21:05:19 -05:00 |
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cc0d91b222
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re-add copies of linked files
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2022-01-29 21:01:49 -05:00 |
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571821694e
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remove links broken on windows
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2022-01-29 21:01:35 -05:00 |
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6c98915a9c
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port to windows
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2022-01-29 20:52:37 -05:00 |
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845ab2dd71
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On Windows the Regex matcher for '.' does not match '\n'
Thus we have to use ContainsRegex instead of MatchesRegex
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2022-01-29 16:35:30 -05:00 |
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d62e25decc
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don't specify default working directory for tests explicitly
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2022-01-29 11:10:23 -05:00 |
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8423ecb211
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small tweaks to make things work with the new settings
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2022-01-28 21:28:37 -05:00 |
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62f5f4d126
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Merge remote-tracking branch 'github/develop' into fmt_upgrade
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2021-12-10 23:04:58 -05:00 |
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878dd746db
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reduce warnings and improve portability
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2021-12-09 13:55:53 -05:00 |
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377b5b4ab3
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Merge pull request #3020 from akohlmey/collected-small-changes
Collected small changes and fixes
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2021-11-17 14:00:13 -05:00 |
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25db8a21bc
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account for increased floating point errors when summing numbers to zero
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2021-11-07 08:29:16 -05:00 |
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aab4f71019
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Merge branch 'develop' into multi-config-support
# Conflicts:
# unittest/force-styles/test_error_stats.cpp
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2021-11-04 15:50:49 -04:00 |
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b7bf60ea53
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use the portable platform::unlink() instead of unlink()
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2021-11-03 14:26:50 -04:00 |
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7f0b2334a5
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update plugin loader test
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2021-11-03 11:52:32 -04:00 |
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a9c6f943e1
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correct test comparisons
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2021-11-02 23:07:44 -04:00 |
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ad81dd3960
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recover original new style library target names through ALIAS library definitions
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2021-10-22 08:23:49 -04:00 |
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6ad03498c3
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make finding plugins for testing multi-config compatible
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2021-10-21 19:22:01 -04:00 |
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510987dc80
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Merge branch 'master' into multi-config-support
# Conflicts:
# cmake/Modules/Packages/MSCG.cmake
# examples/plugins/CMakeLists.txt
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2021-10-11 17:03:41 -04:00 |
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cf4e671474
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Merge branch 'master' into fmt_upgrade
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2021-10-09 23:42:17 -04:00 |
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37bfe3d0ce
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integrate platform sub-namespace into source code and documentation
this updates function calls to functions that have been moved from
the utils namepsace or the Info class to platform::
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2021-10-02 16:55:11 -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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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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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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daa39d680c
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simplify
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2021-09-11 13:43:25 -04:00 |
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c394df5658
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simplify and remove unused command. more multi-config adjustments
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2021-09-11 07:30:18 -04:00 |
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30558c0cd6
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convert plugin compilation to also use add_subdirectory() instead of external project
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2021-09-11 07:01:48 -04:00 |
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932b3cabda
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add missing include (since we not longer include GTest.cmake)
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2021-09-11 06:05:29 -04:00 |
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84c945f7fb
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Use multi-config compatible way to integrate googletest for unit testing
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2021-09-11 04:50:04 -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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757e2f8cff
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Merge branch 'master' into refactor-reaxff-parser
# Conflicts:
# doc/src/fix_qeq_reax.rst
# src/OPENMP/reaxc_bond_orders_omp.h
# src/OPENMP/reaxc_bonds_omp.h
# src/OPENMP/reaxc_forces_omp.h
# src/OPENMP/reaxc_hydrogen_bonds_omp.h
# src/OPENMP/reaxc_init_md_omp.cpp
# src/OPENMP/reaxc_init_md_omp.h
# src/OPENMP/reaxc_multi_body_omp.h
# src/OPENMP/reaxc_nonbonded_omp.h
# src/OPENMP/reaxc_torsion_angles_omp.h
# src/OPENMP/reaxc_valence_angles_omp.h
# src/OPENMP/reaxff_omp.h
# src/Purge.list
# src/QEQ/fix_qeq.cpp
# src/QEQ/fix_qeq.h
# src/QEQ/fix_qeq_dynamic.cpp
# src/QEQ/fix_qeq_fire.cpp
# src/REAXFF/fix_qeq_reax.cpp
# src/REAXFF/reaxc_allocate.h
# src/REAXFF/reaxc_bond_orders.h
# src/REAXFF/reaxc_bonds.h
# src/REAXFF/reaxc_control.h
# src/REAXFF/reaxc_defs.h
# src/REAXFF/reaxc_ffield.h
# src/REAXFF/reaxc_forces.h
# src/REAXFF/reaxc_hydrogen_bonds.h
# src/REAXFF/reaxc_init_md.cpp
# src/REAXFF/reaxc_init_md.h
# src/REAXFF/reaxc_io_tools.cpp
# src/REAXFF/reaxc_io_tools.h
# src/REAXFF/reaxc_list.h
# src/REAXFF/reaxc_lookup.h
# src/REAXFF/reaxc_multi_body.h
# src/REAXFF/reaxc_nonbonded.h
# src/REAXFF/reaxc_reset_tools.h
# src/REAXFF/reaxc_system_props.cpp
# src/REAXFF/reaxc_system_props.h
# src/REAXFF/reaxc_tool_box.h
# src/REAXFF/reaxc_torsion_angles.h
# src/REAXFF/reaxc_traj.cpp
# src/REAXFF/reaxc_traj.h
# src/REAXFF/reaxc_types.h
# src/REAXFF/reaxc_valence_angles.h
# src/REAXFF/reaxc_vector.cpp
# src/REAXFF/reaxc_vector.h
# src/REAXFF/reaxff_api.h
# src/REAXFF/reaxff_defs.h
# src/REAXFF/reaxff_inline.h
# src/REAXFF/reaxff_types.h
# src/text_file_reader.cpp
# src/text_file_reader.h
# unittest/force-styles/tests/atomic-pair-reax_c.yaml
# unittest/force-styles/tests/atomic-pair-reax_c_lgvdw.yaml
# unittest/force-styles/tests/atomic-pair-yukawa_colloid.yaml
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2021-07-12 14:25:47 -04:00 |
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b3fed4d1a9
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update regex to match with updated fmtlib
|
2021-06-24 10:13:52 -04:00 |
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58625d800e
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also make CMake scripts in unittest tree consistent
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2021-05-25 15:10:18 -04:00 |
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2e6a0112d3
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update URLs in some more files
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2021-05-24 16:19:37 -04:00 |
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ba5f531619
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add some basic tests for the "processors" command
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2021-04-25 00:44:51 -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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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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08f4c30051
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Merge branch 'master' into refactor-reaxff-parser
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2021-04-20 20:52:18 -04:00 |
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c543815692
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small tweaks
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2021-04-20 15:28:42 -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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