This is the complete list of members for PZStability, including all inherited members.
basis | PZStability | protected |
cancheck | PZStability | protected |
check(bool stability=false, double cutoff=-1e-3, double dEthr=-1e-7) | PZStability | |
classify() const | PZStability | protected |
compute_worb(const arma::cx_mat &C) | PZStability | protected |
count_oo_params(size_t o) const | PZStability | protected |
count_ov_params(size_t o, size_t v) const | PZStability | protected |
count_params(size_t o, size_t v) const | PZStability | protected |
count_params() const | PZStability | protectedvirtual |
diagonalize() | PZStability | protected |
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) | PZStability | protected |
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) | PZStability | protected |
eval(const arma::vec &x) | PZStability | protectedvirtual |
FDHessian(bool verbose=true) | FDHessian | |
get_CO(const rscf_t &sol) const | PZStability | protected |
get_CO() const (defined in PZStability) | PZStability | protected |
get_CO(bool spin, const uscf_t &sol) const | PZStability | protected |
get_CO(bool spin) const (defined in PZStability) | PZStability | protected |
get_CV(const rscf_t &sol) const | PZStability | protected |
get_CV() const (defined in PZStability) | PZStability | protected |
get_CV(bool spin, const uscf_t &sol) const | PZStability | protected |
get_CV(bool spin) const (defined in PZStability) | PZStability | protected |
get_E() | PZStability | |
get_H(const rscf_t &sol) const | PZStability | protected |
get_H(const uscf_t &sol, bool spin) const | PZStability | protected |
get_rsol() const | PZStability | |
get_usol() const | PZStability | |
gradient() | PZStability | protectedvirtual |
gradient(const arma::vec &x, bool ref) | PZStability | protected |
FDHessian::gradient(const arma::vec &x) | FDHessian | virtual |
grid | PZStability | protected |
hessian() | PZStability | protectedvirtual |
imag | PZStability | protected |
linesearch(const std::string &fname="pz_ls.dat", int prec=1, int Np=100) | PZStability | |
matexp(const arma::cx_mat &X) const | PZStability | protected |
nlgrid | PZStability | protected |
oa | PZStability | protected |
ob (defined in PZStability) | PZStability | protected |
oocheck | PZStability | protected |
oomethod | PZStability | protected |
optimize(size_t maxiter=1000, double gthr=1e-4, double nrthr=1e-4, double dEthr=1e-9, int preconditioning=1) | PZStability | virtual |
FDHessian::optimize(size_t maxiter=1000, double gthr=1e-4, bool max=false) | FDHessian | virtual |
ovmethod | PZStability | protected |
parallel_transport(arma::vec &gold, const arma::vec &sd, double step) const | PZStability | protected |
perturb(double h=1e-6) | PZStability | |
precondition_orbital(const arma::vec &g) const | PZStability | protected |
precondition_unified(const arma::vec &g) const | PZStability | protected |
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) | PZStability | protected |
print_info() | PZStability | |
print_status(size_t iiter, const arma::vec &g, const Timer &t) const | PZStability | protectedvirtual |
PZStability(SCF *solver, bool verbose=true) | PZStability | |
pzw | PZStability | protected |
real | PZStability | protected |
ref_Eorb | PZStability | protected |
ref_Eorba (defined in PZStability) | PZStability | protected |
ref_Eorbb (defined in PZStability) | PZStability | protected |
ref_Forb | PZStability | protected |
ref_Forba (defined in PZStability) | PZStability | protected |
ref_Forbb (defined in PZStability) | PZStability | protected |
ref_worb | PZStability | protected |
ref_worba (defined in PZStability) | PZStability | protected |
ref_worbb (defined in PZStability) | PZStability | protected |
restr | PZStability | protected |
rotation(const arma::vec &x, bool spin=false) const | PZStability | protected |
rotation_pars(const arma::vec &x, bool spin=false) const | PZStability | protected |
rsol | PZStability | protected |
scale | PZStability | protected |
scaleexp | PZStability | protected |
scaling_gradient_oo(arma::cx_mat &gOO, const arma::cx_mat &CO, const arma::vec &Eorb) | PZStability | protected |
scaling_gradient_ov(arma::cx_mat &gOV, const arma::cx_mat &CO, const arma::vec &Eorb, const arma::cx_mat &CV) | PZStability | protected |
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 | |
solverp | PZStability | protected |
ss_fd | FDHessian | protected |
ss_ls | FDHessian | protected |
Tmu | PZStability | protected |
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 | PZStability | protected |
update(const arma::vec &x) | PZStability | protectedvirtual |
update_grid(bool init) | PZStability | protected |
update_reference(bool sort) | PZStability | protected |
update_step(const arma::vec &g) | PZStability | protected |
usol | PZStability | protected |
va | PZStability | protected |
vb (defined in PZStability) | PZStability | protected |
verbose | FDHessian | protected |
~FDHessian() | FDHessian | virtual |
~PZStability() | PZStability |