|
Scine::Sparrow
4.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
|
#include <Core/Interfaces/Calculator.h>#include <Core/ModuleManager.h>#include <Sparrow/Implementations/RealTimeSpectroscopy/IR/IRCalculator.h>#include <Sparrow/Implementations/RealTimeSpectroscopy/Utils/Spectrum.h>#include <Sparrow/Implementations/RealTimeSpectroscopy/UvVis/UvVisCalculator.h>#include <Utils/CalculatorBasics/PropertyList.h>#include <Utils/CalculatorBasics/Results.h>#include <Utils/IO/ChemicalFileFormats/XyzStreamHandler.h>#include <Utils/IO/MolecularTrajectoryIO.h>#include <Utils/IO/Yaml.h>#include <Utils/MolecularTrajectory.h>#include <yaml-cpp/yaml.h>#include <chrono>#include <iomanip>#include <iostream>
Functions | |
| int | main (int argc, char **argv) |