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tblite
Light-weight tight-binding framework
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Provides a general base class for electrostatic interactions. More...
Data Types | |
| type | tblite_coulomb_charge_type::coulomb_charge_type |
| General second-order electrostatics. More... | |
| interface | tblite_coulomb_charge_type::get_coulomb_matrix |
| Evaluate coulomb matrix. More... | |
Modules | |
| module | tblite_coulomb_charge_type |
| General isotropic second-order electrostatics model. | |
Functions/Subroutines | |
| subroutine, public | tblite_coulomb_charge_type::get_coulomb_matrix_from_blocks (self, mol, cache, partition, amat) |
| Assemble a full matrix only for callers explicitly requesting dense storage. | |
Provides a general base class for electrostatic interactions.