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tblite
Light-weight tight-binding framework
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Contains the implementation for the coordination number evaluators.
More...Files | |
| erf.f90 | |
| Provides a (standard) coordination number implementation for the CEH method. | |
| erf_en.f90 | |
| Provides an implementation for the electronegativity-weighted CN as used in the CEH method. | |
| exp.f90 | |
| Provides a coordination number implementation with exponential counting function. | |
| gfn.f90 | |
| Provides a coordination number implementation with double exponential counting function. | |
| type.f90 | |
| Provides a coordination number evalulator base class. | |
Contains the implementation for the coordination number evaluators.
1.10.0