Scine::Swoose
2.1.0
This is the SCINE module Swoose.
|
#include <Swoose/MolecularMechanics/AtomTypesHolder.h>
#include <Swoose/MolecularMechanics/SFAM/SfamParameters.h>
#include <Swoose/MolecularMechanics/Topology/IndexedStructuralTopology.h>
#include <Swoose/StructurePreparation/Protonation/TitrationData.h>
#include <Utils/Bonds/BondOrderCollection.h>
#include <Utils/Geometry/AtomCollection.h>
#include <Utils/Typenames.h>
#include <Eigen/Dense>
#include <Eigen/Sparse>
#include <list>
#include <memory>
Go to the source code of this file.
Classes | |
struct | Scine::MMParametrization::ParametrizationData |
This struct holds all objects used inside the MM parametrization algorithm. More... | |
struct | Scine::MMParametrization::TrainingData |
struct | Scine::MMParametrization::TitrationResults |