Searched refs:densityBetaVector (Results 1 – 1 of 1) sorted by relevance
| /dports/science/chemps2/CheMPS2-1.8.10/CheMPS2/ |
| H A D | FCI.cpp | 2432 …double * densityBetaVector = ( orb_alpha == orb_beta ) ? densityAlphaVector : new double[ vecLeng… in DensityResponseGF_forward() local
2437 …ActWithNumberOperator( orb_beta , densityBetaVector , GSvector ); // densityBetaVector … in DensityResponseGF_forward()
2438 const double n_beta_0 = FCIddot( vecLength , densityBetaVector , GSvector ); // <0| n_beta |0> in DensityResponseGF_forward()
2444 …CGSolveSystem( omega + GSenergy , -1.0 , eta , densityBetaVector , RealPartSolution , ImagPartSolu… in DensityResponseGF_forward()
2452 if ( TwoRDMdens != NULL ){ Fill2RDM( densityBetaVector , TwoRDMdens ); } // Sets the TwoRDMdens in DensityResponseGF_forward()
2453 if ( orb_alpha != orb_beta ){ delete [] densityBetaVector; } in DensityResponseGF_forward()
2468 …double * densityBetaVector = ( orb_alpha == orb_beta ) ? densityAlphaVector : new double[ vecLeng… in DensityResponseGF_backward() local
2474 const double n_beta_0 = FCIddot( vecLength , densityBetaVector , GSvector ); // <0| n_beta |0> in DensityResponseGF_backward()
2482 RePartGF[0] = FCIddot( vecLength , densityBetaVector , RealPartSolution ); in DensityResponseGF_backward()
2485 ImPartGF[0] = FCIddot( vecLength , densityBetaVector , ImagPartSolution ); in DensityResponseGF_backward()
[all …]
|