Scine::Sparrow  4.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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Scine::Sparrow::AGTOOverlapMatrixBlock Class Reference
Inheritance diagram for Scine::Sparrow::AGTOOverlapMatrixBlock:
Inheritance graph
Collaboration diagram for Scine::Sparrow::AGTOOverlapMatrixBlock:
Collaboration graph

Public Member Functions

void SetUp () override
 

Public Attributes

GTOOverlapMatrixBlock
< Utils::DerivativeOrder::One > 		overlapBlock
 
Utils::GtoExpansion gs1
 
Utils::GtoExpansion gs2
 
Utils::GtoExpansion gp1
 
Utils::GtoExpansion gp2
 
Utils::GtoExpansion gd1
 
Utils::GtoExpansion gd2
 
Eigen::Vector3d arbitraryVector
 
The documentation for this class was generated from the following file: