MetatomicPotential Member List

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

capabilities_	MetatomicPotential	private
cauchyStress() const	eonc::Potential	inlinevirtual
check_consistency_	MetatomicPotential	private
clonePotential() const override	MetatomicPotential	virtual
computeNeighbors(metatomic_torch::NeighborListOptions request, long nAtoms, const double *positions, const double *box, const bool periodic[3])	MetatomicPotential	private
computesStress() const noexcept	eonc::Potential	inlinevirtual
device_	MetatomicPotential	private
device_type_	MetatomicPotential	private
dtype_	MetatomicPotential	private
energy_key_	MetatomicPotential	private
energy_uncertainty_key_	MetatomicPotential	private
evaluations_options_	MetatomicPotential	private
finiteCutoff() const noexcept	eonc::Potential	inlinevirtual
force(long nAtoms, const double *positions, const int *atomicNrs, double *forces, double *energy, double *variance, const double *box) override	MetatomicPotential	virtual
eonc::Potential::force(std::span< const double > positions, std::span< const int > atomicNrs, std::span< double > forces, double *energy, double *variance, std::span< const double > box)	eonc::Potential	inline
force_serial_	eonc::Potential	private
forceBatch(long nSystems, long nAtoms, const double *const *positions, const int *const *atomicNrs, double *const *forces, double *energies, double *variances, const double *const *boxes) override	MetatomicPotential	virtual
forceBatchNative(long nSystems, long nAtoms, const double *const *positions, const int *const *atomicNrs, double *const *forces, double *energies, double *variances, const double *const *boxes)	MetatomicPotential	private
forceBatchOwned(long nSystems, long nAtoms, const double *const *positions, const int *const *atomicNrs, double *const *forces, double *energies, double *variances, const double *const *boxes, const long *owners)	eonc::Potential	inlinevirtual
forceCallCounter	eonc::Potential
get_ef(const AtomMatrix &pos, const VectorXi &atmnrs, const Matrix3d &box)	eonc::Potential
getType() const	eonc::Potential	inline
inference_mutex_	MetatomicPotential	mutableprivate
isSharedInstanceThreadSafe() const noexcept	eonc::Potential	inlinevirtual
isSurrogate() const noexcept	eonc::Potential	inlinevirtual
isThreadSafe() const noexcept override	MetatomicPotential	inlinevirtual
layoutFlags() const noexcept	eonc::Potential	inlinevirtual
m_created_at	eonc::Potential	private
m_log	MetatomicPotential	private
m_metatomic_opts	MetatomicPotential	private
m_registry_id	eonc::Potential	private
MetatomicPotential(const eonc::Parameters &params)	MetatomicPotential
MetatomicPotential(const MetatomicPotential &src, CloneTag)	MetatomicPotential	private
model_	MetatomicPotential	private
n_symmetry_rotations_	MetatomicPotential	private
nc_forces_key_	MetatomicPotential	private
needsPerImageInstance() const noexcept override	MetatomicPotential	inlinevirtual
nl_requests_	MetatomicPotential	private
non_conservative_	MetatomicPotential	private
Potential(PotType a_ptype)	eonc::Potential	explicit
Potential(PotType a_ptype, IPotRegistry &registry)	eonc::Potential	inline
Potential(PotType a_ptype, const Parameters &p)	eonc::Potential
Potential(const Parameters &a_params)	eonc::Potential	explicit
PotLayout enum name	eonc::Potential
ptype	eonc::Potential	protected
random_rotation_	MetatomicPotential	private
registry_	eonc::Potential	private
requiresIsolatedMoleculeLayout() const noexcept	eonc::Potential	inlinevirtual
setFixedMask(long nAtoms, const double *isFixed)	eonc::Potential	inlinevirtual
supportsBatchEvaluation() const noexcept override	MetatomicPotential	inlinevirtual
uncertainty_threshold_	MetatomicPotential	private
~MetatomicPotential() override=default	MetatomicPotential
~Potential()	eonc::Potential	inlinevirtual