qs_active_space_types.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Data Types
type	qs_active_space_types::eri_type
type	qs_active_space_types::eri_type_eri_element_func
	Abstract function object for the eri_type_eri_foreach method. More...
type	qs_active_space_types::active_space_type
interface	qs_active_space_types::eri_type_eri_element_func_interface
	The function signature to be implemented by a child of eri_type_eri_element_func. More...

Modules
module	qs_active_space_types
	The types needed for the calculation of active space Hamiltonians.

Functions/Subroutines
subroutine, public	qs_active_space_types::create_active_space_type (active_space_env)
	Creates an active space environment type, nullifying all quantities.
subroutine, public	qs_active_space_types::release_active_space_type (active_space_env)
	Releases all quantities in the active space environment.
integer function, public	qs_active_space_types::csr_idx_to_combined (i, j, n)
	calculates combined index (ij)
subroutine, public	qs_active_space_types::csr_idx_from_combined (ij, n, i, j)
	extracts indices i and j from combined index ij