ncoord.f90 File Reference

Reexports the coordination number evaluation modules. More...

Modules
module	tblite_ncoord
	Proxy module to expose coordination number containers.

Functions/Subroutines
subroutine, public	tblite_ncoord::new_ncoord (self, mol, cn_type, kcn, rcov, en)
	Create a new generic coordination number container.

Detailed Description

Reexports the coordination number evaluation modules.