CI_Hamiltonian_module::Target_CI_Hamiltonian Type Reference

Hamiltonian type. More...

Inheritance diagram for CI_Hamiltonian_module::Target_CI_Hamiltonian:

Collaboration diagram for CI_Hamiltonian_module::Target_CI_Hamiltonian:

Public Member Functions
procedure, public	initialize initialize_target_ci_hamiltonian
procedure, public	build_hamiltonian build_target_ci_hamiltonian_fast

Public Attributes
integer	target_symmetry
	The target symmetry hamiltonian to compute.
integer	csf_skip
	The CSF index stride.

Detailed Description

Hamiltonian type.

Authors

A Al-Refaie

Date

2017

This class differs from the Uncontracted as it allows for the computation of multiple targets of differing symmetries in a single run.

Definition at line 56 of file CI_Hamiltonian_module.f90.

Member Function/Subroutine Documentation

build_hamiltonian()

procedure, public CI_Hamiltonian_module::Target_CI_Hamiltonian::build_hamiltonian

Definition at line 61 of file CI_Hamiltonian_module.f90.

initialize()

procedure, public CI_Hamiltonian_module::Target_CI_Hamiltonian::initialize

Definition at line 60 of file CI_Hamiltonian_module.f90.

Member Data Documentation

csf_skip

integer CI_Hamiltonian_module::Target_CI_Hamiltonian::csf_skip

The CSF index stride.

Definition at line 58 of file CI_Hamiltonian_module.f90.

target_symmetry

integer CI_Hamiltonian_module::Target_CI_Hamiltonian::target_symmetry

The target symmetry hamiltonian to compute.

Definition at line 57 of file CI_Hamiltonian_module.f90.

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The documentation for this type was generated from the following file:

• /scratch.ssd/codes/ukrmol-in-git/source/mpi-ci-diag/Modules/Hamiltonian/CI_Hamiltonian_module.f90