Scine::Sparrow  5.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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Skf< Iterator > Struct Template Reference
Inheritance diagram for Skf< Iterator >:
Inheritance graph
Collaboration diagram for Skf< Iterator >:
Collaboration graph

Public Types

using DoublesList = std::vector< double >
 
using NestedDoubles = std::vector< DoublesList >
 

Public Member Functions

void clearState ()
 

Public Attributes

std::string forwardName
 
double gridDistance
 
boost::optional
< SkfData::SameElementLine > 		atomicParameters
 
NestedDoubles integralTable
 
RepulsionParameters repulsion
 
qi::rule< Iterator,
dftb::RepulsionParameters::Spline()> 		splineToken
 
qi::rule< Iterator,
dftb::RepulsionParameters()> 		splineBlock
 
qi::rule< Iterator,
std::vector< double >)> 		integralLine
 
qi::rule< Iterator,
SkfData::SameElementLine()> 		sameElementLine
 
qi::rule< Iterator > headers
 
qi::rule< Iterator, std::string()> skfFilename
 
qi::rule< Iterator > start
 
The documentation for this struct was generated from the following file: