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