search

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
9 stars 8 forks source link

BUG: Fixed an issue treating an entire parameter as frozen could raise #219

Closed BvB93 closed 3 years ago

codecov[bot] commented 3 years ago

Codecov Report

Merging #219 (6f16ac6) into master (86c856f) will decrease coverage by 1.54%. The diff coverage is 50.00%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master     #219      +/-   ##
==========================================
- Coverage   76.23%   74.68%   -1.55%     
==========================================
  Files          60       60              
  Lines        6408     6408              
  Branches     1108     1108              
==========================================
- Hits         4885     4786      -99     
- Misses       1239     1301      +62     
- Partials      284      321      +37
Impacted Files Coverage Δ
FOX/armc/sanitization.py 90.90% <50.00%> (-0.95%) :arrow_down:
FOX/entry_points.py 24.39% <0.00%> (-23.23%) :arrow_down:
FOX/armc/armc_pt.py 75.00% <0.00%> (-12.50%) :arrow_down:
FOX/logger.py 73.13% <0.00%> (-10.45%) :arrow_down:
FOX/armc/package_manager.py 65.23% <0.00%> (-9.02%) :arrow_down:
FOX/armc/monte_carlo.py 75.59% <0.00%> (-5.75%) :arrow_down:
FOX/functions/cp2k_utils.py 44.82% <0.00%> (-3.45%) :arrow_down:
FOX/armc/run_armc.py 68.75% <0.00%> (-3.13%) :arrow_down:
FOX/io/read_xyz.py 68.11% <0.00%> (-2.90%) :arrow_down:
FOX/classes/multi_mol.py 71.66% <0.00%> (-2.04%) :arrow_down:
... and 8 more

Continue to review full report at Codecov.

Legend - Click here to learn more Δ = absolute <relative> (impact), ø = not affected, ? = missing data Powered by Codecov. Last update 86c856f...6f16ac6. Read the comment docs.