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7d5931def3
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Added example folders tested
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2024-02-23 08:16:55 -06:00 |
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9c7b169003
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Renamed the log files under examples/bpm
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2024-02-12 19:43:05 -06:00 |
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e7f0f9be5a
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Added another example of a config file
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2024-02-08 11:37:49 -06:00 |
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a1f38b9a75
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Captured output of the test run, reported if the run failed (e.g. missing packages)
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2024-02-08 11:29:26 -06:00 |
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f141543659
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Looped over all the runs in an input script, made more descriptive output
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2024-02-08 11:12:54 -06:00 |
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244c72afd9
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Counted the total num checks per test
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2024-02-07 15:42:15 -06:00 |
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051167a14c
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Supported JUnit XML output
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2024-02-07 15:20:55 -06:00 |
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ace87d2bb8
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Only printed out all the quantities being checked with verbose on
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2024-02-01 17:21:30 -06:00 |
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621a4e406f
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Handled exception with the yaml load
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2024-02-01 15:22:46 -06:00 |
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911227a981
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Cleaned up and expanded the set of examples being tested
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2024-01-31 14:47:11 -06:00 |
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b1688d4287
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Merge branch 'upstream' into regression-tests
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2024-01-31 13:48:49 -06:00 |
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829708bd71
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Allowed to specify example folders from arguments
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2024-01-31 13:46:34 -06:00 |
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e9dc5bafff
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Improved failed test info
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2024-01-31 13:06:04 -06:00 |
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cfe6afe665
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Used the absolute path for the lammps binary, no need for symbolic links
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2024-01-31 11:03:23 -06:00 |
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91d292fb7c
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Tested with more example subfolders
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2024-01-30 17:08:24 -06:00 |
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293e930cb0
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Expanded the tests for more subfolders, need to check if there is an existing log file with matching nprocs
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2024-01-30 14:01:43 -06:00 |
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c0fc4c8908
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Cleaned up and tested with micelle and melt under examples
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2024-01-30 13:07:57 -06:00 |
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52de76d97b
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Merge pull request #4015 from srtee/develop
add border information to Atom::add_custom and Atom::find_custom
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2024-01-29 22:46:05 -05:00 |
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6927934243
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make estimated accuracy output more readable
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2024-01-29 21:12:41 -05:00 |
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153e30227e
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Added function to extract output from an existing log file into a yaml data structure, working on in place testing
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2024-01-29 18:07:21 -06:00 |
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c43b10f952
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Merge branch 'develop' into srtee_develop
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2024-01-29 17:37:54 -05:00 |
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ba4174f474
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Added tolerances to the config file
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2024-01-29 15:25:52 -06:00 |
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87fd1c63df
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whitespace
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2024-01-29 15:52:04 -05:00 |
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ef1857d50d
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programming style updates
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2024-01-29 15:48:30 -05:00 |
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2ea200dc01
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add ghost check to redID in pair_amoeba.cpp
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2024-01-27 07:26:47 +10:00 |
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7d53f8d1c5
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Merge pull request #4054 from akohlmey/consolidate-sphere-omega-flag
Remove sphere_flag and replace with radius_flag and omega_flag as needed
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2024-01-26 15:50:32 -05:00 |
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40782fec09
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fix spelling issues
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2024-01-26 14:55:09 -05:00 |
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6bfe0ca573
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remove accidentally included file
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2024-01-26 14:46:55 -05:00 |
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e84adc630b
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adjustements to atom_style doc page
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2024-01-26 10:11:35 -07:00 |
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4082ca077e
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Merge branch 'develop' into consolidate-sphere-omega-flag
# Conflicts:
# src/compute_temp_sphere.cpp
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2024-01-25 17:57:53 -05:00 |
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3941baeda1
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Merge pull request #4051 from akohlmey/collected-small-changes
Collected small changes and fixes
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2024-01-25 17:55:13 -05:00 |
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d7e8530503
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Merge pull request #4058 from akohlmey/internal_variable_interface
Add function to library interfaces to set internal style variable values
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2024-01-25 16:15:56 -05:00 |
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1016e28f98
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avoid redundant checks and accessing uninitialized data
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2024-01-25 14:02:03 -05:00 |
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9813abe428
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whitespace
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2024-01-25 12:49:01 -05:00 |
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4134c82117
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say more explicitly what the added function calls do
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2024-01-25 12:47:06 -05:00 |
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104af8bba4
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simplify
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2024-01-25 04:25:48 -05:00 |
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6442e05988
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even more define to static constexpr conversions
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2024-01-25 02:17:28 -05:00 |
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7cb907da58
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remove unused variables
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2024-01-24 21:19:25 -05:00 |
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d2170cedec
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rename functions to avoid overloading polymorph functions
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2024-01-24 21:15:02 -05:00 |
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a6261d75b9
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some more define to static constexpr conversions
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2024-01-24 21:14:19 -05:00 |
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ebd493ea77
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update atom_style command documentation
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2024-01-24 16:11:29 -05:00 |
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77e7a71ded
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Fixed typo in NEB documentation (energy units --> dimensionless)
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2024-01-24 14:52:42 -05:00 |
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4a13fe68e0
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add tests for new library APIs
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2024-01-24 04:47:59 -05:00 |
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7b210dd97e
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add documentation for new library APIs to set variables and changes to the old API
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2024-01-24 04:14:03 -05:00 |
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c7a3571974
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add library interface to Variable::internal_set()
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2024-01-24 03:59:29 -05:00 |
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7023723e05
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remove accidentally added files
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2024-01-23 21:23:36 -05:00 |
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f7fdad8bc5
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update external MDI library to version 1.4.26
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2024-01-23 21:21:04 -05:00 |
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039ad4f4ae
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change Atom_KOKKOS::add_custom to match Atom, and tidy headers in atom.h
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2024-01-22 15:11:52 +10:00 |
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de35784c93
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update cache action to v4
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2024-01-21 21:16:33 -05:00 |
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1f863cd4a3
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simplify since constexpr should conver to FFT_SCALAR at compile time
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2024-01-21 15:59:09 -05:00 |
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