.. _NOCI: ============================================== Non-Orthogonal Configuration Interaction, NOCI ============================================== * ``nonOrthogonalConfigurationInteraction=`` *[logical]* *Default* ``.false.`` * ``translationScanGrid(:)=`` *[integer]* *Default* ``0`` * ``rotationalScanGrid=`` *[integer]* *Default* ``0`` * ``rotationAroundZMaxAngle=`` *[integer]* *Default* ``360`` * ``rotationAroundZStep=`` *[integer]* *Default* ``0`` * ``nestedRotationalGrids=`` *[integer]* *Default* ``1`` * ``translationStep=`` *[integer]* *Default* ``0.0`` * ``nestedGridsDisplacement=`` *[integer]* *Default* ``0.0`` * ``configurationEnergyThreshold=`` *[integer]* *Default* ``1.0`` * ``configurationOverlapThreshold=`` *[float]* *Default* ``1.0E-8`` * ``configurationMaxDisplacement(:)=`` *[integer]* *Default* ``0.0`` * ``configurationMinDisplacement(:)=`` *[integer]* *Default* ``0.0`` * ``configurationMaxNPDistance=`` *[integer]* *Default* ``1.0E8`` * ``configurationMinPPDistance=`` *[integer]* *Default* ``0.0`` * ``configurationMaxPPDistance=`` *[integer]* *Default* ``1.0E8`` * ``configurationEquivalenceDistance=`` *[float]* *Default* ``1.0E-8`` * ``empiricalOverlapParameterA=`` *[float]* *Default* ``0.0604`` * ``empiricalOverlapParameterB=`` *[float]* *Default* ``0.492`` * ``empiricalOverlapParameterE0=`` *[integer]* *Default* ``0.0`` * ``empiricalOverlapParameterSc=`` *[integer]* *Default* ``0.0`` * ``configurationUseSymmetry=`` *[logical]* *Default* ``.false.`` * ``readNOCIgeometries=`` *[logical]* *Default* ``.false.`` * ``empiricalOverlapCorrection=`` *[logical]* *Default* ``.false.`` * ``onlyFirstNOCIelements=`` *[logical]* *Default* ``.false.`` * ``computeROCIformula=`` *[logical]* *Default* ``.false.``