Scine::Sparrow
5.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
|
#include <Sparrow/Implementations/Nddo/Parameters.h>
#include <Sparrow/Implementations/Nddo/Utils/IntegralsEvaluationUtils/oneCenterTwoElectronIntegrals.h>
#include <Sparrow/Implementations/Nddo/Utils/ParameterUtils/AtomicParameters.h>
#include <Sparrow/Implementations/Nddo/Utils/ParameterUtils/PM6DiatomicParameters.h>
#include <Sparrow/Implementations/Nddo/Utils/ParameterUtils/RawParameterProcessor.h>
#include <Utils/DataStructures/AtomicGtos.h>
#include <Utils/DataStructures/AtomsOrbitalsIndexes.h>
#include <Utils/DataStructures/Gtf.h>
#include <Utils/Geometry/ElementInfo.h>
#include <Utils/Typenames.h>
#include <gmock/gmock.h>
#include <algorithm>
#include <cstdio>
#include <fstream>
#include <iterator>
#include <sstream>
#include <string>
#include <vector>
Classes | |
class | Scine::Sparrow::Sto6gBasisTest |