Scine::Sparrow  3.1.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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Scine::Sparrow::nddo::ElementParameters Class Reference

#include <ElementParameters.h>

Collaboration diagram for Scine::Sparrow::nddo::ElementParameters:
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Public Types

using par_t = std::unique_ptr< AtomicParameters >
 
using PPContainer = std::vector< par_t >
 

Public Member Functions

void clear ()
 
bool isSet (Utils::ElementType e) const
 
void set (Utils::ElementType e, par_t parameters)
 
const AtomicParameters & get (Utils::ElementType e) const
 

Detailed Description

This class holds the pointers to the element-specific runtime parameters

The documentation for this class was generated from the following file: