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PZStability Member List

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

basisPZStabilityprotected
cancheckPZStabilityprotected
check(bool stability=false, double cutoff=-1e-3, double dEthr=-1e-7)PZStability
classify() const PZStabilityprotected
compute_worb(const arma::cx_mat &C)PZStabilityprotected
count_oo_params(size_t o) const PZStabilityprotected
count_ov_params(size_t o, size_t v) const PZStabilityprotected
count_params(size_t o, size_t v) const PZStabilityprotected
count_params() const PZStabilityprotectedvirtual
diagonalize()PZStabilityprotected
eval(const arma::vec &x, rscf_t &sol, std::vector< arma::cx_mat > &Forb, arma::vec &Eorb, arma::vec &worb, bool ks, bool fock, bool useref)PZStabilityprotected
eval(const arma::vec &x, uscf_t &sol, std::vector< arma::cx_mat > &Forba, arma::vec &Eorba, arma::vec &worba, std::vector< arma::cx_mat > &Forbb, arma::vec &Eorbb, arma::vec &worbb, bool ks, bool fock, bool useref)PZStabilityprotected
eval(const arma::vec &x)PZStabilityprotectedvirtual
FDHessian(bool verbose=true)FDHessian
get_CO(const rscf_t &sol) const PZStabilityprotected
get_CO() const (defined in PZStability)PZStabilityprotected
get_CO(bool spin, const uscf_t &sol) const PZStabilityprotected
get_CO(bool spin) const (defined in PZStability)PZStabilityprotected
get_CV(const rscf_t &sol) const PZStabilityprotected
get_CV() const (defined in PZStability)PZStabilityprotected
get_CV(bool spin, const uscf_t &sol) const PZStabilityprotected
get_CV(bool spin) const (defined in PZStability)PZStabilityprotected
get_E()PZStability
get_H(const rscf_t &sol) const PZStabilityprotected
get_H(const uscf_t &sol, bool spin) const PZStabilityprotected
get_rsol() const PZStability
get_usol() const PZStability
gradient()PZStabilityprotectedvirtual
gradient(const arma::vec &x, bool ref)PZStabilityprotected
FDHessian::gradient(const arma::vec &x)FDHessianvirtual
gridPZStabilityprotected
hessian()PZStabilityprotectedvirtual
imagPZStabilityprotected
linesearch(const std::string &fname="pz_ls.dat", int prec=1, int Np=100)PZStability
matexp(const arma::cx_mat &X) const PZStabilityprotected
nlgridPZStabilityprotected
oaPZStabilityprotected
ob (defined in PZStability)PZStabilityprotected
oocheckPZStabilityprotected
oomethodPZStabilityprotected
optimize(size_t maxiter=1000, double gthr=1e-4, double nrthr=1e-4, double dEthr=1e-9, int preconditioning=1)PZStabilityvirtual
FDHessian::optimize(size_t maxiter=1000, double gthr=1e-4, bool max=false)FDHessianvirtual
ovmethodPZStabilityprotected
parallel_transport(arma::vec &gold, const arma::vec &sd, double step) const PZStabilityprotected
perturb(double h=1e-6)PZStability
precondition_orbital(const arma::vec &g) const PZStabilityprotected
precondition_unified(const arma::vec &g) const PZStabilityprotected
print_info(const arma::cx_mat &CO, const arma::cx_mat &CV, const std::vector< arma::cx_mat > &Forb, const arma::cx_mat &H0, const arma::vec &Eorb, const arma::vec &worb)PZStabilityprotected
print_info()PZStability
print_status(size_t iiter, const arma::vec &g, const Timer &t) const PZStabilityprotectedvirtual
PZStability(SCF *solver, bool verbose=true)PZStability
pzwPZStabilityprotected
realPZStabilityprotected
ref_EorbPZStabilityprotected
ref_Eorba (defined in PZStability)PZStabilityprotected
ref_Eorbb (defined in PZStability)PZStabilityprotected
ref_ForbPZStabilityprotected
ref_Forba (defined in PZStability)PZStabilityprotected
ref_Forbb (defined in PZStability)PZStabilityprotected
ref_worbPZStabilityprotected
ref_worba (defined in PZStability)PZStabilityprotected
ref_worbb (defined in PZStability)PZStabilityprotected
restrPZStabilityprotected
rotation(const arma::vec &x, bool spin=false) const PZStabilityprotected
rotation_pars(const arma::vec &x, bool spin=false) const PZStabilityprotected
rsolPZStabilityprotected
scalePZStabilityprotected
scaleexpPZStabilityprotected
scaling_gradient_oo(arma::cx_mat &gOO, const arma::cx_mat &CO, const arma::vec &Eorb)PZStabilityprotected
scaling_gradient_ov(arma::cx_mat &gOV, const arma::cx_mat &CO, const arma::vec &Eorb, const arma::cx_mat &CV)PZStabilityprotected
set(const rscf_t &sol)PZStability
set(const uscf_t &sol)PZStability
set_method(const dft_t &ovmethod, const dft_t &oomethod, double pzw, pz_scaling_t scale, double scaleexp)PZStability
set_params(bool real, bool imag, bool ov, bool oo)PZStability
solverpPZStabilityprotected
ss_fdFDHessianprotected
ss_lsFDHessianprotected
TmuPZStabilityprotected
unified_H(const arma::cx_mat &CO, const arma::cx_mat &CV, const std::vector< arma::cx_mat > &Forb, const arma::vec &worb, const arma::cx_mat &H0) const PZStabilityprotected
update(const arma::vec &x)PZStabilityprotectedvirtual
update_grid(bool init)PZStabilityprotected
update_reference(bool sort)PZStabilityprotected
update_step(const arma::vec &g)PZStabilityprotected
usolPZStabilityprotected
vaPZStabilityprotected
vb (defined in PZStability)PZStabilityprotected
verboseFDHessianprotected
~FDHessian()FDHessianvirtual
~PZStability()PZStability