xtp_bind_tools.h File Reference

#include "votca/tools/property.h"
#include "votca/xtp/qmtool.h"
#include "votca/xtp/toolfactory.h"
#include <string>

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Classes
class	pyxtp::XTPTools

Namespaces
namespace	pyxtp

Functions
void	pyxtp::call_tool (const std::string &calculatorName, Index nThreads, std::string xmlfile)
	Construct a new pybind11 module object to invoke a votca-xtp QMTool.