A collection of tools designed for the automatic construction, and subsequent analysis, of chemical compounds.
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BUG: FIx an issue wherein optimized geometries were not correctly written to the .hdf5 file #234
Closed
BvB93 closed 2 years ago
Codecov Report
81.43% <100.00%> (ø)
75.75% <100.00%> (+0.27%)
88.63% <0.00%> (-4.55%)
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