occ::mults::RigidMolecule::Atom Struct Reference

An atom in the molecule (for geometry and short-range interactions). More...

#include <rigid_molecule.h>

Public Attributes
int	atomic_number = 0
Vec3	position
	body-frame offset from COM (Angstrom)

Detailed Description

An atom in the molecule (for geometry and short-range interactions).

Member Data Documentation

atomic_number

int occ::mults::RigidMolecule::Atom::atomic_number = 0

position

Vec3 occ::mults::RigidMolecule::Atom::position

body-frame offset from COM (Angstrom)

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The documentation for this struct was generated from the following file:

• /home/runner/work/occ/occ/include/occ/mults/rigid_molecule.h