Scine::Sparrow  4.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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Scine::Sparrow::dftb::SkfData Struct Reference
Collaboration diagram for Scine::Sparrow::dftb::SkfData:
Collaboration graph

Classes

struct  SameElementLine
 

Public Types

using DoublesList = std::vector< double >
 
using IntegralTable = std::array< DoublesList, 28 >
 

Static Public Member Functions

static SkfData read (const std::string &filename)
 Parses a SKF file. More...
 

Public Attributes

double gridDistance
 
boost::optional< SameElementLine > atomicParameters
 
IntegralTable integralTable
 
RepulsionParameters repulsion
 

Member Function Documentation

SkfData SkfData::read ( const std::string &  filename)
static

Parses a SKF file.

Resolves forwarding.

The documentation for this struct was generated from the following files: