emmet.core.molecules.bonds

Functions

fix_C_Li_bonds

Adjust C-Li coordinate bonding for Critic2 calculations.

nbo_molecule_graph

Construct a molecule graph from NBO data.

Classes

BOND_METHODS

Built-in mutable sequence.

MoleculeBondingDoc

Representation of molecular bonding.

TYPE_CHECKING

bool(x) -> bool

metals

Built-in mutable sequence.