tblite_container_list Module Reference

Definition of list of general interaction contaienrs. More...

Data Types
type	cache_list
	List of container cache instances. More...
type	container_list
	List of interaction containers. More...
interface	resize
	Reallocate list of containers. More...

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

Detailed Description

Definition of list of general interaction contaienrs.

Function/Subroutine Documentation

update()

subroutine tblite_container_list::update	(	class(container_list), 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