Scine::Sparrow  5.1.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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Scine::Sparrow::AMNDOPairwiseRepulsion Class Reference
Inheritance diagram for Scine::Sparrow::AMNDOPairwiseRepulsion:
Inheritance graph
Collaboration diagram for Scine::Sparrow::AMNDOPairwiseRepulsion:
Collaboration graph

Public Member Functions

void SetUp () override
 

Public Attributes

const Utils::ElementType arbitraryElement1 {Utils::ElementType::C}
 
const Utils::ElementType arbitraryElement2 {Utils::ElementType::N}
 
double arbitraryCharge1
 
double arbitraryCharge2
 
double arbitraryAlpha1
 
double arbitraryAlpha2
 
double arbitraryIntegral
 
double arbitraryRadius
 
double aCore
 
double bCore
 
AtomicParameters ap1
 
AtomicParameters ap2
 
MNDOPairwiseRepulsion rep
 
The documentation for this class was generated from the following file: