Scine::Sparrow
5.1.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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#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) |