charge_from_molecules
silently ignores isomorphic molecules in list, only using the first entry
#1058
Milestone
charge_from_molecules
silently ignores isomorphic molecules in list, only using the first entry
#1058
Description
Passing two isomorphic Molecules with different partial charges to
from_smirnoff
'scharge_from_molecules
flag will lead to partial charges only being assigned from the first Molecule.Reproduction
Output
Software versions
Interchange v0.3.29
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