Inheritance diagram for ErgoE2Evaluator:
Public Member Functions | |
ErgoE2Evaluator (BasisInfoStruct *bis, Molecule *m, const char *mode) | |
virtual bool | transform (const ergo_real *dmat, ergo_real *fmat) |
Private Attributes | |
BasisInfoStruct * | bi |
Molecule * | mol |
bool | use_xc |
The transition density matrix is supplied in
dmat. | The result is returned in | |
fmat. |
ErgoE2Evaluator::ErgoE2Evaluator | ( | BasisInfoStruct * | bis, | |
Molecule * | m, | |||
const char * | mode | |||
) | [inline] |
virtual bool ErgoE2Evaluator::transform | ( | const ergo_real * | dmat, | |
ergo_real * | fmat | |||
) | [inline, virtual] |
Implements LR::E2Evaluator.
BasisInfoStruct* ErgoE2Evaluator::bi [private] |
Molecule* ErgoE2Evaluator::mol [private] |
bool ErgoE2Evaluator::use_xc [private] |