This is the complete list of members for EnergyOptimizer, including all inherited members.
calcE(const std::vector< BasisSetLibrary > &baslib)=0 | EnergyOptimizer | pure virtual |
calcG(const arma::vec &x, bool check=true) | EnergyOptimizer | protected |
calcG(const arma::vec &x, arma::sword am, bool check=true) | EnergyOptimizer | protected |
calcH(const arma::vec &x, bool check=true) | EnergyOptimizer | protected |
calcH(const arma::vec &x, arma::sword am, bool check=true) | EnergyOptimizer | protected |
el | EnergyOptimizer | protected |
EnergyOptimizer(const std::string &el, bool verbose=true) | EnergyOptimizer | |
fd_h | EnergyOptimizer | protected |
form_basis(const arma::vec &x) const | EnergyOptimizer | virtual |
form_basis(const std::vector< arma::vec > &exps) const | EnergyOptimizer | virtual |
get_el() const | EnergyOptimizer | |
get_exps(const arma::vec &x) const | EnergyOptimizer | |
idx_vec() const | EnergyOptimizer | |
idx_vec(arma::sword am) const | EnergyOptimizer | |
init | EnergyOptimizer | protected |
ls_h | EnergyOptimizer | protected |
nf | EnergyOptimizer | protected |
npar | EnergyOptimizer | protected |
ntr | EnergyOptimizer | protected |
optimize(arma::vec &x, size_t maxiter, double nrthr, double gthr) | EnergyOptimizer | |
optimize_full(arma::vec &x, size_t maxiter, double nrthr, double gthr) | EnergyOptimizer | |
optsh | EnergyOptimizer | protected |
pad_vec(const arma::vec &sd) const | EnergyOptimizer | protected |
pad_vec(const arma::vec &sd, arma::sword am) const | EnergyOptimizer | protected |
print_info(const arma::vec &x, const std::string &msg) const | EnergyOptimizer | |
scan(arma::vec &x, double xmin, double xmax, double dx) | EnergyOptimizer | |
set_params(const arma::ivec &am, const arma::uvec &nf, const arma::uvec &npar, const arma::uvec &optsh) | EnergyOptimizer | |
sh_vec() const | EnergyOptimizer | |
sham | EnergyOptimizer | protected |
toggle_init(bool init) | EnergyOptimizer | |
verbose | EnergyOptimizer | protected |
~EnergyOptimizer() | EnergyOptimizer | virtual |