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nlesc-nano / auto-FOX

A library for analyzing potential energy surfaces (PESs) and using the resulting PES descriptors for constructing forcefield parameters.
GNU Lesser General Public License v3.0
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ENH: Added an option for checking whether the input parameters satisfy the constraints #179

Closed BvB93 closed 3 years ago

BvB93 commented 3 years ago

See the new param.validation.enforce_constraints keyword; disabled by default.

codecov[bot] commented 3 years ago

Codecov Report

Merging #179 (bb303d5) into master (1d9fae7) will not change coverage. The diff coverage is 0.00%.

Impacted file tree graph

@@          Coverage Diff           @@
##           master    #179   +/-   ##
======================================
  Coverage    0.00%   0.00%           
======================================
  Files          55      55           
  Lines        5697    5724   +27     
======================================
- Misses       5697    5724   +27
Impacted Files Coverage Δ
FOX/armc/param_mapping.py 0.00% <0.00%> (ø)
FOX/armc/sanitization.py 0.00% <0.00%> (ø)
FOX/armc/schemas.py 0.00% <0.00%> (ø)
FOX/io/read_prm.py 0.00% <0.00%> (ø)

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