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Potential Member List

This is the complete list of members for Potential, including all inherited members.

force(long nAtoms, const double *positions, const int *atomicNrs, double *forces, double *energy, double *variance, const double *box)=0Potentialpure virtual
forceBatch(long nSystems, long nAtoms, const double *const *positions, const int *const *atomicNrs, double *const *forces, double *energies, double *variances, const double *const *boxes)Potentialinlinevirtual
forceCallCounterPotential
get_ef(const AtomMatrix &pos, const VectorXi &atmnrs, const Matrix3d &box)Potential
getType() constPotentialinline
isSharedInstanceThreadSafe() const noexceptPotentialinlinevirtual
isSurrogate() const noexceptPotentialinlinevirtual
isThreadSafe() const noexceptPotentialinlinevirtual
m_created_atPotentialprivate
m_registry_idPotentialprivate
needsPerImageInstance() const noexceptPotentialinlinevirtual
Potential(PotType a_ptype)Potentialinlineexplicit
Potential(PotType a_ptype, const Parameters &)Potentialinline
Potential(const Parameters &a_params)Potentialinline
ptypePotentialprotected
requiresIsolatedMoleculeLayout() const noexceptPotentialinlinevirtual
supportsBatchEvaluation() const noexceptPotentialinlinevirtual
~Potential()Potentialinlinevirtual