occ::cg::NeighborAtoms Struct Reference

#include <neighbor_atoms.h>

Public Member Functions
	NeighborAtoms (const crystal::CrystalDimers::MoleculeNeighbors &)

Public Attributes
Mat3N	positions
IVec	molecule_index
IVec	atomic_numbers
Vec	vdw_radii

Constructor & Destructor Documentation

NeighborAtoms()

occ::cg::NeighborAtoms::NeighborAtoms

(

const crystal::CrystalDimers::MoleculeNeighbors &

)

Member Data Documentation

atomic_numbers

IVec occ::cg::NeighborAtoms::atomic_numbers

molecule_index

IVec occ::cg::NeighborAtoms::molecule_index

positions

Mat3N occ::cg::NeighborAtoms::positions

vdw_radii

Vec occ::cg::NeighborAtoms::vdw_radii

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

• /home/runner/work/occ/occ/include/occ/cg/neighbor_atoms.h