JDFTx  1.7.0
SCF Member List

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

applyMetric(const SCFvariable &) constSCFprotectedvirtual
axpy(double alpha, const SCFvariable &X, SCFvariable &Y) constSCFprotectedvirtual
clearState()Pulay< SCFvariable >
cycle(double dEprev, std::vector< double > &extraValues)SCFprotectedvirtual
dot(const SCFvariable &X, const SCFvariable &Y) constSCFprotectedvirtual
eigDiffRMS(const std::vector< diagMatrix > &, const std::vector< diagMatrix > &, const Everything &e)SCFstatic
getResidual() constPulay< SCFvariable >protectedvirtual
getVariable() constSCFprotectedvirtual
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 &) constSCFprotectedvirtual
Pulay(const PulayParams &pp) (defined in Pulay< SCFvariable >)Pulay< SCFvariable >
readVariable(SCFvariable &, FILE *) constSCFprotectedvirtual
report(int iter)SCFprotectedvirtual
saveState(const char *filename) constPulay< SCFvariable >
SCF(Everything &e) (defined in SCF)SCF
setVariable(const SCFvariable &)SCFprotectedvirtual
sync(double x) constSCFprotectedvirtual
variableSize() constSCFprotectedvirtual
writeVariable(const SCFvariable &, FILE *) const (defined in SCF)SCFprotectedvirtual