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cca-chem-generic Class List

Here are the classes, structs, unions and interfaces with brief descriptions:
Chemistry::QC::GaussianBasis::AtomicInterfaceThe atomic interface provides shell data for an atomic gaussian basis set
ChemistryOpt::CoordinateModelInterfaceThe CoordinateModel interface provides energies and energy derivatives to optimization solvers
Chemistry::QC::GaussianBasis::DerivCentersInterfaceThe DerivCenters interface allows omitted centers to be specified for derivative integral evaluations
Chemistry::QC::GaussianBasis::DipoleDataInterfaceDipoleData is used to communicate dipole data to integral evaluators
Chemistry::QC::GaussianBasis::IntegralDescrInterfaceAn IntegralDescr is used to configure integral evaluators
Chemistry::QC::GaussianBasis::IntegralEvaluatorFactoryInterfaceAn IntegralEvaluatorFactory supplies integral evaluators
Chemistry::QC::GaussianBasis::IntegralEvaluatorInterfaceGiven an integral type label, molecular basis sets for each center, and the maximum derivative to be computed, IntegralEvaluators compute molecular integrals over guassian shells
Chemistry::QC::GaussianBasis::IntegralSuperFactoryInterfaceThe IntegralSuperFactory supports management of multiple IntegralEvaluatorFactory objects
Chemistry::QC::ModelFactoryInterfaceThe ModelFactory is used to create new instances of Model's
Chemistry::QC::ModelInterfaceThe Chemistry.QC.Model interface provides energies and gradients for a Molecule
Chemistry::QC::GaussianBasis::MolecularInterfaceThe Molecular interface provides atomic basis data for a molecular gaussian basis set
Chemistry::MoleculeFactoryInterfaceThe MoleculeFactory is used to create Molecule objects
Chemistry::MoleculeInterfaceThe Molecule interface provides a collection of atoms
Chemistry::MoleculeViewerInterfaceThe MoleculeViewer interface provides a mechanism to send a Molecule to a GUI
Chemistry::QC::GaussianBasis::ShellInterfaceThe Shell interface provides primitive and contraction data for a guassian shell

Generated on Mon Jun 4 13:03:03 2007 for cca-chem-generic by  doxygen