tblite_container_type Module Reference

Definition of abstract base class for general interactions. More...

Data Types
type	container_type
	Abstract base class for interactions containers. More...

Functions/Subroutines
subroutine	update (self, mol, cache)
	Update container cache.

Detailed Description

Definition of abstract base class for general interactions.

Function/Subroutine Documentation

update()

subroutine tblite_container_type::update	(	class(container_type), intent(in)	self,
		type(structure_type), intent(in)	mol,
		type(container_cache), intent(inout)	cache )

Update container cache.

Parameters

[in]	self	Instance of the interaction container
[in]	mol	Molecular structure data
[in,out]	cache	Cached data between different runs