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EAM Member List

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

calc_force(long N, double *R, const int *atomicNrs, double *F, double *U, const double *box)EAMprivate
cauchyStress() consteonc::Potentialinlinevirtual
cell_to_neighbor(long N, long num_of_cells, long *num_axis, long *cell_length, long *celllist_new, long *neigh_list)EAMprivate
celllist_new_EAMprivate
celllist_old_EAMprivate
cleanMemory()EAM
clonePotential() consteonc::Potentialinlinevirtual
computesStress() const noexcepteonc::Potentialinlinevirtual
EAM(const eonc::Parameters &params)EAMinlineexplicit
el_paramsEAMprivatestatic
embedding_force(const double *func_coeff, double rho)EAMprivatestatic
embedding_function(const double *func_coeff, double rho)EAMprivatestatic
finiteCutoff() const noexcepteonc::Potentialinlinevirtual
force(long N, const double *R, const int *atomicNrs, double *F, double *U, double *variance, const double *fullbox) overrideEAMvirtual
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)eonc::Potentialinlinevirtual
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
get_element_parameters(int atomic_number)EAMprivate
getType() consteonc::Potentialinline
initialized_EAMprivate
isSharedInstanceThreadSafe() const noexcept overrideEAMinlinevirtual
isSurrogate() const noexcepteonc::Potentialinlinevirtual
isThreadSafe() const noexcepteonc::Potentialinlinevirtual
layoutFlags() const noexcepteonc::Potentialinlinevirtual
m_created_ateonc::Potentialprivate
m_registry_ideonc::Potentialprivate
needsPerImageInstance() const noexcepteonc::Potentialinlinevirtual
neigh_list_EAMprivate
new_celllist(long N, const double *box, long *num_axis, long *cell_length, long *celllist_new, long num_cells, double *Rnew)EAMprivate
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
rc_EAMprivate
registry_eonc::Potentialprivate
requiresIsolatedMoleculeLayout() const noexcepteonc::Potentialinlinevirtual
setFixedMask(long nAtoms, const double *isFixed)eonc::Potentialinlinevirtual
supportsBatchEvaluation() const noexcepteonc::Potentialinlinevirtual
update_cell_list(long N, long num_cells, long *num_axis, long *cell_length, long *celllist_old, double *Rnew)EAMprivate
~EAM() override=defaultEAM
~Potential()eonc::Potentialinlinevirtual