| aoMap | XCEvaluator | [protected] |
| bisOrig | XCEvaluator | [protected] |
| bisPermuted | XCEvaluator | [protected] |
| dMat | XCEvaluatorUnrestricted | [private] |
| getXC(int nElectrons, symmMatrix &xcA, symmMatrix &xcB, real *xcEnergy, int nThreads) const | XCEvaluatorUnrestricted | |
| gss | XCEvaluator | [protected] |
| integralInfo | XCEvaluator | [protected] |
| mol | XCEvaluator | [protected] |
| pattern | XCEvaluator | [protected] |
| permutationHML | XCEvaluator | [protected] |
| XCEvaluator(const BasisInfoStruct &bisOrig_, const IntegralInfo &integralInfo_, const Molecule &mol_, const Dft::GridParams &gss_, std::vector< int > const &permutationHML_, const symmMatrix &dens) | XCEvaluator | |
| XCEvaluatorUnrestricted(const BasisInfoStruct &bisOrig_, const IntegralInfo &integralInfo_, const Molecule &mol_, const Dft::GridParams &gss_, std::vector< int > const &permutationHML_, const symmMatrix &densA, const symmMatrix &densB) | XCEvaluatorUnrestricted | [inline] |
| ~XCEvaluator() | XCEvaluator | |
| ~XCEvaluatorUnrestricted() | XCEvaluatorUnrestricted | [inline] |
