xtp_calculators.cc File Reference

#include "votca/xtp/statesaver.h"
#include "xtp_bind_calculators.h"
#include <iostream>
#include <pybind11/embed.h>
#include <pybind11/stl.h>
#include <votca/tools/optionshandler.h>

Include dependency graph for xtp_calculators.cc:

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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.