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RgpotAdapter< RPot > Member List

This is the complete list of members for RgpotAdapter< RPot >, including all inherited members.

cauchyStress() const overrideRgpotAdapter< RPot >inlinevirtual
clonePotential() consteonc::Potentialinlinevirtual
computesStress() const noexcept overrideRgpotAdapter< RPot >inlinevirtual
finishConstruct(const eonc::Parameters &params)RgpotAdapter< RPot >inlineprivate
finiteCutoff() const noexcept overrideRgpotAdapter< RPot >inlinevirtual
force(long N, const double *R, const int *atomicNrs, double *F, double *U, double *variance, const double *box) overrideRgpotAdapter< RPot >inlinevirtual
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::Potentialinline
force_serial_eonc::Potentialprivate
forceBatch(long nSystems, long nAtoms, const double *const *positions, const int *const *atomicNrs, double *const *forces, double *energies, double *variances, const double *const *boxes) overrideRgpotAdapter< RPot >inlinevirtual
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::Potentialinlinevirtual
forceCallCountereonc::Potential
get_ef(const AtomMatrix &pos, const VectorXi &atmnrs, const Matrix3d &box)eonc::Potential
getType() consteonc::Potentialinline
haveStress_RgpotAdapter< RPot >private
isSharedInstanceThreadSafe() const noexcepteonc::Potentialinlinevirtual
isSurrogate() const noexcepteonc::Potentialinlinevirtual
isThreadSafe() const noexcept overrideRgpotAdapter< RPot >inlinevirtual
kernel() const noexceptRgpotAdapter< RPot >inline
layoutFlags() const noexcepteonc::Potentialinlinevirtual
loader_RgpotAdapter< RPot >private
m_created_ateonc::Potentialprivate
m_registry_ideonc::Potentialprivate
needsPerImageInstance() const noexcept overrideRgpotAdapter< RPot >inlinevirtual
pot_RgpotAdapter< RPot >private
Potential(PotType a_ptype)eonc::Potentialexplicit
Potential(PotType a_ptype, IPotRegistry &registry)eonc::Potentialinline
Potential(PotType a_ptype, const Parameters &p)eonc::Potential
Potential(const Parameters &a_params)eonc::Potentialexplicit
PotLayout enum nameeonc::Potential
ptypeeonc::Potentialprotected
registry_eonc::Potentialprivate
requiresIsolatedMoleculeLayout() const noexcept overrideRgpotAdapter< RPot >inlinevirtual
RgpotAdapter(eonc::PotType ptype, const eonc::Parameters &params, const Cfg &cfg)RgpotAdapter< RPot >inline
RgpotAdapter(eonc::PotType ptype, const eonc::Parameters &params, const Cfg &cfg, eonc::IPluginLoader &loader)RgpotAdapter< RPot >inline
RgpotAdapter(eonc::PotType ptype, const eonc::Parameters &params)RgpotAdapter< RPot >inline
RgpotAdapter(eonc::PotType ptype, const eonc::Parameters &params, eonc::IPluginLoader &loader)RgpotAdapter< RPot >inline
RgpotAdapter(eonc::PotType ptype, const eonc::Parameters &params, RPot &&kernel)RgpotAdapter< RPot >inline
RgpotAdapter(eonc::PotType ptype, const eonc::Parameters &params, RPot &&kernel, eonc::IPluginLoader &loader)RgpotAdapter< RPot >inline
setFixedMask(long nAtoms, const double *isFixed)eonc::Potentialinlinevirtual
storeStress(const rgpot::ForceOut &out)RgpotAdapter< RPot >inlineprivate
stress_RgpotAdapter< RPot >private
supportsBatchEvaluation() const noexcept overrideRgpotAdapter< RPot >inlinevirtual
validateCaps() constRgpotAdapter< RPot >inlineprivate
~Potential()eonc::Potentialinlinevirtual