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tblite
Light-weight tight-binding framework
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Definition of the individual components of the parametrization data.
More...Directories | |
| post_processing | |
Files | |
| charge.f90 | |
| Provides model for the isotropic second-order electrostatic. | |
| dispersion.f90 | |
| Provides model for the dispersion corrections. | |
| element.f90 | |
| Provides records for the element specific parameters. | |
| halogen.f90 | |
| Provides record for the halogen bonding model. | |
| hamiltonian.f90 | |
| Provides parameter record for the Hamiltonian. | |
| mask.f90 | |
| Provides a general mask for the complete parameters set. | |
| multipole.f90 | |
| Provides a model for the anisotropic second-order electrostatic. | |
| post_processing.f90 | |
| Provides a list-type container to store various post processing param records. | |
| repulsion.f90 | |
| Provides a module for the repulsion interactions. | |
| serde.f90 | |
| Provides a base class for serializable and deserializable data. | |
| thirdorder.f90 | |
| Provides a model for the isotropic third-order electrostatic. | |
Definition of the individual components of the parametrization data.