Remove deprecated get method calls #238
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…ing (duartegroup#202) * make autode compatible with windows: replace multiprocessing with joblib and loky * remove comment autode/utils.py * check total memory in utils * use loky for parallel processing * loky context is used for better handling of parallelisation * fixes for timeout wrapper in POSIX * use class instances instead of class attributes for Config * pass parent Config state into child processes * keep default timeout wrapper, also add new wrapper * separate parallelisation scheme for windows, restore default for linux/mac * fix test_config_in_worker_proc for posix * codecov on windows * add tests for config copy * change config implementation for updating in worker process * add context manager for temporary config, minor fix in experimental timeout for windows * add tests for context manager * use bash for installing xtb in CI runner * add tests for cleanup after timeout * exclude setup.py from codecov * make config picklable and easily readable * add test and minor fixes * move xtb install script to .github/scripts * use temporary_config for test_utils.py * update changelog and contributor list * resolve conflicts with v1.4.0 Co-authored-by: Tom Young <39765193+t-young31@users.noreply.github.com>
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Codecov Report
@@ Coverage Diff @@
## v1.4.0 #238 +/- ##
==========================================
+ Coverage 96.86% 97.22% +0.36%
==========================================
Files 195 195
Lines 20403 20392 -11
==========================================
+ Hits 19763 19827 +64
+ Misses 640 565 -75
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... and 8 files with indirect coverage changes Help us with your feedback. Take ten seconds to tell us how you rate us. Have a feature suggestion? Share it here. |
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* Removal of deprecated functions [skip actions] * Add force constant [skip actions] * NEB refactoring * Fix units for div mul * Update changelog * PR suggestions --------- Co-authored-by: Shoubhik Maiti <17470159+shoubhikraj@users.noreply.github.com>
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Resolves #217
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