JDFTx  1.2.1
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Groups Pages
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 >
minimize()SCF
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