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SCF Member List

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

applyMetric(const SCFvariable &) const SCFprotectedvirtual
axpy(double alpha, const SCFvariable &X, SCFvariable &Y) const SCFprotectedvirtual
clearState()Pulay< SCFvariable >
cycle(double dEprev, std::vector< double > &extraValues)SCFprotectedvirtual
dot(const SCFvariable &X, const SCFvariable &Y) const SCFprotectedvirtual
eigDiffRMS(const std::vector< diagMatrix > &, const std::vector< diagMatrix > &, const Everything &e)SCFstatic
getVariable() const SCFprotectedvirtual
loadState(const char *filename)Pulay< SCFvariable >
Pulay< SCFvariable >::minimize(double Eprev=+DBL_MAX, std::vector< string > extraNames=std::vector< string >(), std::vector< double > extraThresh=std::vector< double >())Pulay< SCFvariable >
precondition(const SCFvariable &) const SCFprotectedvirtual
Pulay(const PulayParams &pp) (defined in Pulay< SCFvariable >)Pulay< SCFvariable >
readVariable(SCFvariable &, FILE *) const SCFprotectedvirtual
report(int iter)SCFprotectedvirtual
saveState(const char *filename) constPulay< SCFvariable >
SCF(Everything &e) (defined in SCF)SCF
setVariable(const SCFvariable &)SCFprotectedvirtual
sync(double x) const SCFprotectedvirtual
variableSize() const SCFprotectedvirtual
writeVariable(const SCFvariable &, FILE *) const (defined in SCF)SCFprotectedvirtual