tblite
Light-weight tight-binding framework
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type.f90 File Reference

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.

Detailed Description

Provides a general base class for electrostatic interactions.