type.f90 File Reference

Implements post processing container abstract class, and the collection of computing caches. More...

Data Types
type	tblite_post_processing_type::post_processing_type
	Abstract base class for post-processing methods. More...
interface	tblite_post_processing_type::compute

Functions/Subroutines
subroutine, public	tblite_post_processing_type::collect_containers_caches (rcache, ccache, hcache, dcache, icache, calc, caches)

Detailed Description

Implements post processing container abstract class, and the collection of computing caches.

Function/Subroutine Documentation

collect_containers_caches()

subroutine, public tblite_post_processing_type::collect_containers_caches	(	type(container_cache), intent(inout), allocatable	rcache,
		type(container_cache), intent(inout), allocatable	ccache,
		type(container_cache), intent(inout), allocatable	hcache,
		type(container_cache), intent(inout), allocatable	dcache,
		type(container_cache), intent(inout), allocatable	icache,
		type(xtb_calculator), intent(in)	calc,
		type(cache_list), intent(inout)	caches )

Parameters

[in,out]	rcache	Container cache for the repulsion interaction
[in,out]	ccache	Container cache for the Coulomb interaction
[in,out]	hcache	Container cache for the halogen correction
[in,out]	dcache	Container cache for the dispersion interaction
[in,out]	icache	Container cache for general interactions
[in]	calc	Instance of the calculator
[in,out]	caches	List of caches for use in the post-processing