CI_Hamiltonian_module Module Reference

Target CI Hamiltonian module. More...

Data Types
type	Target_CI_Hamiltonian
	Hamiltonian type. More...

Functions/Subroutines
subroutine	initialize_target_CI_hamiltonian (this, target_symmetry)
	Sets up the hamiltonian to build for a specific target symmetry.
subroutine	build_target_CI_hamiltonian (this, matrix_elements)
	Builds the Target Hamiltonian of a specific target symmetry.
subroutine	build_target_CI_hamiltonian_fast (this, matrix_elements)
	Builds the Target Hamiltonian of a specific target symmetry fast, currently not working.

Detailed Description

Target CI Hamiltonian module.

Authors

A Al-Refaie

Date

2017

This module handles the computation of multiple target symmetry hamiltonians in a single run.

Note

01/02/2017 - Ahmed Al-Refaie: Initial revision.

16/01/2019 - Jakub Benda: Unifom coding style and expanded documentation.

Function/Subroutine Documentation

build_target_CI_hamiltonian()

subroutine CI_Hamiltonian_module::build_target_CI_hamiltonian ( class(target_ci_hamiltonian) this, class(basematrix), intent(inout) matrix_elements )

private

Builds the Target Hamiltonian of a specific target symmetry.

Authors

A Al-Refaie

Date

2017

Parameters

[in,out]	this	Hamiltonian object to update.
[out]	matrix_elements	A BaseMatrix object, stores the calculated elements.

Definition at line 96 of file CI_Hamiltonian_module.f90.

build_target_CI_hamiltonian_fast()

subroutine CI_Hamiltonian_module::build_target_CI_hamiltonian_fast ( class(target_ci_hamiltonian) this, class(basematrix), intent(inout) matrix_elements )

private

Builds the Target Hamiltonian of a specific target symmetry fast, currently not working.

Authors

A Al-Refaie

Date

2017

Todo

Fix this so the results are correct.

Parameters

[in,out]	this	Hamiltonian object to update.
[out]	matrix_elements	A BaseMatrix object, stores the calculated elements.

Definition at line 219 of file CI_Hamiltonian_module.f90.

initialize_target_CI_hamiltonian()

subroutine CI_Hamiltonian_module::initialize_target_CI_hamiltonian	(	class(target_ci_hamiltonian)	this,
		integer, intent(in)	target_symmetry )

Sets up the hamiltonian to build for a specific target symmetry.

Authors

A Al-Refaie

Date

2017

Parameters

[in,out]	this	hamiltonian object to update.
[in]	target_symmetry	The target symmetry hamiltonian to build

Definition at line 73 of file CI_Hamiltonian_module.f90.