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
TST: Add basic tests for `FOX.properties` #201
Closed
BvB93 closed 3 years ago
Codecov Report
100.00% <ø> (ø)
42.50% <20.00%> (-0.36%)
50.00% <40.00%> (ø)
75.00% <70.27%> (+8.33%)
Continue to review full report at Codecov.