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JDFTx
1.4.2
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JDFTx
1.4.2
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This is the complete list of members for SCF, including all inherited members.
| applyMetric(const SCFvariable &) const | SCF | protectedvirtual |
| axpy(double alpha, const SCFvariable &X, SCFvariable &Y) const | SCF | protectedvirtual |
| clearState() | Pulay< SCFvariable > | |
| cycle(double dEprev, std::vector< double > &extraValues) | SCF | protectedvirtual |
| dot(const SCFvariable &X, const SCFvariable &Y) const | SCF | protectedvirtual |
| eigDiffRMS(const std::vector< diagMatrix > &, const std::vector< diagMatrix > &, const Everything &e) | SCF | static |
| getVariable() const | SCF | protectedvirtual |
| 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 | SCF | protectedvirtual |
| Pulay(const PulayParams &pp) (defined in Pulay< SCFvariable >) | Pulay< SCFvariable > | |
| readVariable(SCFvariable &, FILE *) const | SCF | protectedvirtual |
| report(int iter) | SCF | protectedvirtual |
| saveState(const char *filename) const | Pulay< SCFvariable > | |
| SCF(Everything &e) (defined in SCF) | SCF | |
| setVariable(const SCFvariable &) | SCF | protectedvirtual |
| sync(double x) const | SCF | protectedvirtual |
| variableSize() const | SCF | protectedvirtual |
| writeVariable(const SCFvariable &, FILE *) const (defined in SCF) | SCF | protectedvirtual |