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RgpotPot Member List

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

acked_RgpotPotprivate
backend() const noexceptRgpotPotinline
backend_RgpotPotprivate
cauchyStress() consteonc::Potentialinlinevirtual
clonePotential() consteonc::Potentialinlinevirtual
computeBatch(long nSystems, long nAtoms, const double *const *positions, const int *const *atomicNrs, double *const *forces, double *energies, const double *const *boxes, const std::int64_t *owners)RgpotPotprivate
computeSingle(long N, const double *R, const int *atomicNrs, double *F, double *U, const double *box)RgpotPotprivate
computesStress() const noexcepteonc::Potentialinlinevirtual
driver_RgpotPotprivate
dropped_RgpotPotprivate
engineAvailable() constRgpotPot
finiteCutoff() const noexcepteonc::Potentialinlinevirtual
force(long N, const double *R, const int *atomicNrs, double *F, double *U, double *variance, const double *box) overrideRgpotPotvirtual
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) overrideRgpotPotvirtual
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) overrideRgpotPotvirtual
forceCallCountereonc::Potential
get_ef(const AtomMatrix &pos, const VectorXi &atmnrs, const Matrix3d &box)eonc::Potential
getType() consteonc::Potentialinline
impl_RgpotPotprivate
isSharedInstanceThreadSafe() const noexcepteonc::Potentialinlinevirtual
isSurrogate() const noexcepteonc::Potentialinlinevirtual
isThreadSafe() const noexcept overrideRgpotPotinlinevirtual
layoutFlags() const noexcepteonc::Potentialinlinevirtual
m_created_ateonc::Potentialprivate
m_registry_ideonc::Potentialprivate
needsPerImageInstance() const noexcepteonc::Potentialinlinevirtual
operator=(const RgpotPot &)=deleteRgpotPot
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
releaseWorkersAtExit()RgpotPotprivate
requiresIsolatedMoleculeLayout() const noexcept overrideRgpotPotinlinevirtual
RgpotPot(const eonc::Parameters &p)RgpotPotexplicit
RgpotPot(const RgpotPot &)=deleteRgpotPot
sendStop()RgpotPotprivate
serveWorker()RgpotPotprivate
setFixedMask(long nAtoms, const double *isFixed)eonc::Potentialinlinevirtual
stopAndDrop()RgpotPotprivate
stopped_RgpotPotprivate
supportsBatchEvaluation() const noexcept overrideRgpotPotvirtual
~Potential()eonc::Potentialinlinevirtual
~RgpotPot() overrideRgpotPot