qs_active_space_methods Module Reference

Determine active space Hamiltonian. More...

Functions/Subroutines
subroutine	eri_fcidump_set (this, bra_start, ket_start)
	Sets the starting indices of the bra and ket.
subroutine, public	active_space_main (qs_env)
	Main method for determining the active space Hamiltonian.

Detailed Description

Determine active space Hamiltonian.

History

04.2016 created [JGH]

Author

JGH

Function/Subroutine Documentation

eri_fcidump_set()

subroutine qs_active_space_methods::eri_fcidump_set	(	class(eri_fcidump_checksum)	this,
		integer, intent(in)	bra_start,
		integer, intent(in)	ket_start
	)

Sets the starting indices of the bra and ket.

Parameters

this	object reference
bra_start	starting index of the bra
ket_start	starting index of the ket

Definition at line 201 of file qs_active_space_methods.F.

active_space_main()

subroutine, public qs_active_space_methods::active_space_main

(

type(qs_environment_type), pointer

qs_env

)

Main method for determining the active space Hamiltonian.

Parameters

qs_env

...

Definition at line 212 of file qs_active_space_methods.F.

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