votca 2024.1-dev
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Namespaces | Functions
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:

Go to the source code of this file.

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.