tblite
Light-weight tight-binding framework
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Public Member Functions
tblite_ncoord_type::ncoord_count Interface Reference

Abstract counting function. More...

Public Member Functions

elemental real(wp) function ncoord_count (self, mol, izp, jzp, r)
 

Detailed Description

Abstract counting function.

Constructor & Destructor Documentation

◆ ncoord_count()

elemental real(wp) function tblite_ncoord_type::ncoord_count::ncoord_count ( class(ncoord_type), intent(in) self,
type(structure_type), intent(in) mol,
integer, intent(in) izp,
integer, intent(in) jzp,
real(wp), intent(in) r )
virtual
Parameters
[in]selfInstance of coordination number container
[in]molMolecular structure data
[in]izpAtom i index
[in]jzpAtom j index
[in]rCurrent distance.

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