2 % Copyright (C) 2009-2015 Peter Rakyta, Ph.D.
4 % This program is free software: you can redistribute it and/or modify
5 % it under the terms of the GNU General Public License as published by
6 % the Free Software Foundation, either version 3 of the License, or
7 % (at your option) any later version.
9 % This program is distributed in the hope that it will be useful,
10 % but WITHOUT ANY WARRANTY; without even the implied warranty of
11 % MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
12 % GNU General Public License
for more details.
14 % You should have received a copy of the GNU General Public License
15 % along with
this program. If not, see http:
18 %> @brief This
function parses the input file containing the input parameters.
20 %> @brief This
function parses the input file containing the input parameters.
21 %> @
param filename A
string containing the absolute path to the file containing the input data.
22 %> @
return [1] An instance of structure #
Opt.
23 %> @
return [2] An instance of structure #
param.
27 if isempty( filename )
28 error(
'EQuUs:parseInput',
'Input filename is empty.')
31 if isempty( which(filename) )
32 error( 'EQuUs:
parseInput', ['Input file "', filename,'" not found.'])
35 % determine the filter type
36 [directory, name, ext] = fileparts(which(filename));
38 if strcmpi( ext, '.xml' )
41 error('EQuUs:
parseInput', ['Unrecognized file type: ', ext]);
Structure Opt contains the basic computational parameters used in EQuUs.
function Transport(Energy, B)
Calculates the conductance at a given energy value.
Structure param contains data structures describing the physical parameters of the scattering center ...