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Classes
struct	Scine::MolecularMechanics::IndexedStructuralBond
	Holds indexes for a bond. More...

struct	Scine::MolecularMechanics::IndexedStructuralAngle
	Holds indexes for an angle. The connectivity is atom1 – atom2 – atom3. More...

struct	Scine::MolecularMechanics::IndexedStructuralDihedral
	Holds indexes for a dihedral. The connectivity is atom1 – atom2 – atom3 – atom4. More...

struct	Scine::MolecularMechanics::IndexedStructuralImproperDihedral
	Holds indexes for an improper dihedral. More...

struct	Scine::MolecularMechanics::StructuralExcludedNonBonded
	Holds indexes for an excluded non-bonded interaction. (1-2 and 1-3 neighbors) More...

struct	Scine::MolecularMechanics::IndexedStructuralScaledNonBonded
	Holds indexes for a potentially scaled non-bonded interaction. (1-4 neighbors) More...

struct	Scine::MolecularMechanics::IndexedStructuralHydrogenBond
	Holds indexes for a hydrogen-bond interaction. More...

Detailed Description

Copyright: This code is licensed under the 3-clause BSD license.
Copyright ETH Zurich, Department of Chemistry and Applied Biosciences, Reiher Group.
See LICENSE.txt for details.

Classes