type.f90 File Reference

Provides a coordination number evalulator base class. More...

Data Types
type	tblite_ncoord_type::ncoord_type
	Abstract base class for coordination number evaluator. More...
interface	tblite_ncoord_type::ncoord_count
	Abstract counting function. More...

Modules
module	tblite_ncoord_type
	Declaration of base class for coordination number evalulations.

Functions/Subroutines
subroutine, public	tblite_ncoord_type::get_coordination_number (self, mol, trans, cutoff, cn, dcndr, dcndl)
	Geometric fractional coordination number, supports exponential and error counting functions.

Detailed Description

Provides a coordination number evalulator base class.