NAME

Photonic::Roles::Haydock

VERSION

version 0.021

COPYRIGHT NOTICE

Photonic - A perl package for calculations on photonics and metamaterials.

Copyright (C) 2016 by W. Luis Mochán

This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 1, or (at your option) any later version.

This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details.

You should have received a copy of the GNU General Public License along with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston MA 02110-1301 USA

    mochan@fis.unam.mx

    Instituto de Ciencias Físicas, UNAM
    Apartado Postal 48-3
    62251 Cuernavaca, Morelos
    México

SYNOPSIS

    use Photonic::LE::NR2::Haydock;
    my $nr=Photonic::LE::NR2::Haydock->new(geometry=>$geometry,nh=>$Nh,
            keepStates=>$save);
    $nr->run;
    my $haydock_as=$iter->as;
    my $haydock_bs=$iter->bs;
    my $haydock_b2s=$iter->b2s;

    # or one iteration:
    $nr->iterate;
    say $nr->iteration;
    say $nr->current_a;
    say $nr->next_b2;
    my $state=$nr->next_state;

(for developers)

    package Photonic::LE::NR2::Haydock;
    $Photonic::LE::NR2::Haydock::VERSION= '0.021';
    use namespace::autoclean;
    use Moose;
    has...
    with 'Photonic::Roles::Haydock';

DESCRIPTION

Role consumed by Haydock objects to be used in a Photonic calculation. Basic scheme for the calculation of one Haydock coefficient and one Haydock state at a time.

Iterates the calculation of Haydock coefficients and states and saves them for later retrieval.

Consumes Photonic::Roles::KeepStates, Photonic::Roles::Reorthogonalize - please see those for attributes.

ATTRIBUTES

• smallH

  A small number used as tolerance to end the iteration. Small negative b^2 coefficients are taken to be zero.

• current_state next_state

  The n-th and n+1-th Haydock states

• current_a

  The n-th Haydock coefficient a

• next_b2 next_b

  The n+1-th b^2 and b Haydock coefficients

• iteration

  Number of completed iterations

• nh

  Maximum number of desired Haydock 'a' coefficients and states. The number of b coefficients is one less (but it starts with a dummy zero).

• keepStates

  Flag to keep (1) or discard (0) Haydock states

• state_iterator

  Iterator to provide the previously calculated and saved states. It may take the states from memory or from a file if provided.

• states

  Array of Haydock states

• as

  ndarray of Haydock a coefficients

• bs

  ndarray of Haydock b coefficients.

• b2s

  ndarray of Haydock b coefficients squared

REQUIRED ATTRIBUTES

These must be supplied by the consuming class:

• applyOperator($psi_G)

  Apply the relevant operator to state $psi_G.

• innerProduct($left, $right)

  Returns the inner product between states $left and $right.

• magnitude($psi_G)

  Returns the magnitude of state $psi_G.

• changesign

  Whether there is a need to change sign.

• complexCoeffs

  Whether the coefficients are complex.

METHODS

• iterate

  Performs a single Haydock iteration and updates current_a, next_b, next_b2, next_state, shifting the current values where necessary. Returns 0 when unable to continue iterating.

• run

  Runs the iteration to completion.

• loadall

  Load previously saved state from file, if provided.

• storeall

  Store final state to file, if provided.