xtp_tools.cc File Reference

#include "xtp_bind_tools.h"
#include <iostream>
#include <votca/tools/optionshandler.h>

Include dependency graph for xtp_tools.cc:

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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.