Searched refs:removalFCI (Results 1 – 1 of 1) sorted by relevance
| /dports/science/chemps2/CheMPS2-1.8.10/CheMPS2/ |
| H A D | FCI.cpp | 2347 … CheMPS2::FCI removalFCI( Ham, removeNelUP, removeNelDOWN, removeIrrep, maxMemWorkMB, FCIverbose ); in GFmatrix_removal() local
2348 const unsigned int removeVecLength = removalFCI.getVecLength( 0 ); in GFmatrix_removal()
2350 …removalFCI.ActWithSecondQuantizedOperator( 'A', isUp, orbitalRight, removeVector, this, GSvector )… in GFmatrix_removal()
2354 … removalFCI.CGSolveSystem( alpha, beta, eta, removeVector, RealPartSolution, ImagPartSolution ); in GFmatrix_removal()
2356 … if ( TwoRDMreal != NULL ){ removalFCI.Fill2RDM( RealPartSolution, TwoRDMreal[ cnt_right ] ); } in GFmatrix_removal()
2357 … if ( TwoRDMimag != NULL ){ removalFCI.Fill2RDM( ImagPartSolution, TwoRDMimag[ cnt_right ] ); } in GFmatrix_removal()
2358 … if ( TwoRDMrem != NULL ){ removalFCI.Fill2RDM( removeVector, TwoRDMrem[ cnt_right ] ); } in GFmatrix_removal()
2363 …removalFCI.ActWithSecondQuantizedOperator( 'A', isUp, orbitalLeft, removeVector, this, GSvector );… in GFmatrix_removal()
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