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uDIIS Member List

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

c1diisDIISprotected
clear()uDIISvirtual
cooloffDIISprotected
DIIS(const arma::mat &S, const arma::mat &Sinvh, bool usediis, bool c1diis, double diiseps, double diisthr, bool useadiis, bool verbose, size_t imax)DIISprotected
diisepsDIISprotected
diisthrDIISprotected
erase_last()uDIISprivatevirtual
get_c_adiis(bool verbose=false) const DIISprotected
get_dEdx_adiis(const arma::vec &x) const DIISprotected
get_diis_error() const uDIISprivatevirtual
get_E_adiis(const arma::vec &x) const DIISprotected
get_energies() const uDIISprivatevirtual
get_w()DIISprotected
get_w_adiis() const DIISprotected
get_w_diis() const DIISprotected
get_w_diis_wrk(const arma::mat &err) const DIISprotected
imaxDIISprotected
PiFDIISprotected
PiF_update()uDIISprivate
PiFjDIISprotected
SDIISprotected
SinvhDIISprotected
solve_F(arma::mat &Fa, arma::mat &Fb)uDIIS
solve_P(arma::mat &Pa, arma::mat &Pb)uDIIS
stackuDIISprivate
uDIIS(const arma::mat &S, const arma::mat &Sinvh, bool usediis, bool c1diis, double diiseps, double diisthr, bool useadiis, bool verbose, size_t imax)uDIIS
update(const arma::mat &Fa, const arma::mat &Fb, const arma::mat &Pa, const arma::mat &Pb, double E, double &error)uDIIS
useadiisDIISprotected
usediisDIISprotected
verboseDIISprotected
~DIIS()DIISprotectedvirtual
~uDIIS()uDIIS