|
Scine::Sparrow
4.0.0
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 |