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ASE Member List

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

_calculateASEprivate
ASE(const Parameters &a_params)ASE
calculatorASEprivate
counterASEprivate
force(long nAtoms, const double *R, const int *atomicNrs, double *F, double *U, double *variance, const double *box) overrideASEvirtual
forceBatch(long nSystems, long nAtoms, const double *const *positions, const int *const *atomicNrs, double *const *forces, double *energies, double *variances, const double *const *boxes)eonc::Potentialinlinevirtual
forceCallCountereonc::Potential
get_ef(const AtomMatrix &pos, const VectorXi &atmnrs, const Matrix3d &box)eonc::Potential
getType() consteonc::Potentialinline
isSharedInstanceThreadSafe() const noexcepteonc::Potentialinlinevirtual
isSurrogate() const noexcepteonc::Potentialinlinevirtual
isThreadSafe() const noexcept overrideASEinlinevirtual
m_created_ateonc::Potentialprivate
m_registry_ideonc::Potentialprivate
needsPerImageInstance() const noexcept overrideASEinlinevirtual
Potential(PotType a_ptype)eonc::Potentialinlineexplicit
Potential(PotType a_ptype, const Parameters &)eonc::Potentialinline
Potential(const Parameters &a_params)eonc::Potentialinline
ptypeeonc::Potentialprotected
py_moduleASEprivate
requiresIsolatedMoleculeLayout() const noexcepteonc::Potentialinlinevirtual
supportsBatchEvaluation() const noexcepteonc::Potentialinlinevirtual
~ASE()ASEinlinevirtual
~Potential()eonc::Potentialinlinevirtual