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JDFTx
1.7.0
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JDFTx
1.7.0
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This is the complete list of members for JDFTxWrapper, including all inherited members.
| dumpEnd() const (defined in JDFTxWrapper) | JDFTxWrapper | |
| getCommandDoc(string name) (defined in JDFTxWrapper) | JDFTxWrapper | static |
| getCommands() (defined in JDFTxWrapper) | JDFTxWrapper | static |
| getEnergy() const (defined in JDFTxWrapper) | JDFTxWrapper | |
| getForces() const (defined in JDFTxWrapper) | JDFTxWrapper | |
| getStress() const (defined in JDFTxWrapper) | JDFTxWrapper | |
| JDFTxWrapper(std::vector< std::pair< string, string >> inputs, bool variableCell, setCavity_t setCavity[2]) (defined in JDFTxWrapper) | JDFTxWrapper | |
| minimize() (defined in JDFTxWrapper) | JDFTxWrapper | |
| move(NDarray delta_positions, NDarray delta_R) (defined in JDFTxWrapper) | JDFTxWrapper | |
| setPcmParams(string params) (defined in JDFTxWrapper) | JDFTxWrapper |