Class HarmonicAtomList

• Defined in File harmonic.hpp

Inheritance Relationships

Base Type

• public pele::AtomListPotential< harmonic_interaction, cartesian_distance< 3 > > (Template Class AtomListPotential)

Class Documentation

class HarmonicAtomList : public pele::AtomListPotential<harmonic_interaction, cartesian_distance<3>>

Pairwise harmonic interaction with loops done using atom lists.

Public Functions

inline HarmonicAtomList(double k, Array<size_t> atoms1, Array<size_t> atoms2)

inline HarmonicAtomList(double k, Array<size_t> atoms1)