tblite_coulomb_charge_effective::average_interface Interface Reference

Average Hubbard parameter for two shells. More...

Public Member Functions
pure real(wp) function	average_interface (gi, gj)

Detailed Description

Average Hubbard parameter for two shells.

Constructor & Destructor Documentation

average_interface()

pure real(wp) function tblite_coulomb_charge_effective::average_interface::average_interface ( real(wp), intent(in) gi, real(wp), intent(in) gj )

virtual

Parameters

[in]	gi	Hubbard parameter of shell i
[in]	gj	Hubbard parameter of shell j

Returns

Averaged Hubbard parameter

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The documentation for this interface was generated from the following file:

• /home/runner/work/tblite/tblite/src/tblite/coulomb/charge/effective.f90