Scine::Sparrow  4.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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Scine::Sparrow::CalculationHandler Class Reference

Class handling the main calculation routines. More...

Collaboration diagram for Scine::Sparrow::CalculationHandler:
Collaboration graph

Public Member Functions

 CalculationHandler ()=delete
 deleted default constructor;
 
 CalculationHandler (CommandLineOptions &options)
 This constructor initializes the desired method with the settings read from the command line.
 
void calculate (std::ostream &out)
 start a calculation with the options and description read by the command line.
 

Detailed Description

Class handling the main calculation routines.

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