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[Licence| Download | New Version Template] aenr_v1_0.tar.gz(95 Kbytes)
Manuscript Title: Imaginary time propagation code for large-scale two-dimensional eigenvalue problems in magnetic fields
Authors: P.J.J. Luukko, E. Räsänen
Program title: itp2d
Catalogue identifier: AENR_v1_0
Distribution format: tar.gz
Journal reference: Comput. Phys. Commun. 184(2013)769
Programming language: C++ and Python.
Computer: Tested on x86 and x86-64 architectures.
Operating system: Tested under Linux with the g++ compiler. Any POSIX-compliant OS with a C++ compiler and the required external routines should suffice.
Has the code been vectorised or parallelized?: Yes, with OpenMP.
RAM: 1 MB or more, depending on system size.
Keywords: Schrödinger equation, Imaginary time propagation, Diffusion algorithm, Quantum chaos.
PACS: 02.70.-c, 31.15.-p, 05.45.Mt.
Classification: 7.3.

External routines: FFTW3 (http://www.fftw.org), CBLAS (http://netlib. org/blas), LAPACK (http://www.netlib.org/lapack), HDF5 (http://www.hdfgroup. org/HDF5), OpenMP (http://openmp.org), TCLAP (http://tclap.sourceforge.net), Python (http://python.org), Google Test (http://code.google.com/p/googletest/)

Nature of problem:
Numerical calculation of the lowest energy solutions (up to a few thousand, depending on available memory), of a single-particle, time-independent Schrödinger equation in two dimensions with or without a homogeneous magnetic field.

Solution method:
Imaginary time propagation (also known as the diffusion algorithm), with arbitrary even order factorization of the imaginary time evolution operator

Additional comments:
Please see the README file distributed with the program for more information. The source code of our program is also available at https: //bitbucket.org/luukko/itp2d.

Running time:
Seconds to hours