xtp_bind_calculators.h File Reference

#include "votca/tools/property.h"
#include "votca/xtp/calculatorfactory.h"
#include "votca/xtp/qmcalculator.h"
#include <iostream>
#include <map>
#include <memory>

Include dependency graph for xtp_bind_calculators.h:

This graph shows which files directly or indirectly include this file:

Go to the source code of this file.

Classes
class	pyxtp::XTPCalculators

Namespaces
namespace	pyxtp

Functions
void	pyxtp::call_calculator (const std::string &calculatorName, const std::map< std::string, std::string > &dict)
	Construct a new pybind11 module object to invoke a votca-xtp Calculator.