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Manuscript Title: ATUS-PRO: A FEM-based solver for the time-dependent and stationary Gross-Pitaevskii equation
Authors: Zelimir Marojević, Ertan Göklü, Claus Lämmerzahl
Program title: ATUS-PRO
Catalogue identifier: AEZD_v1_0
Distribution format: tar.gz
Journal reference: Comput. Phys. Commun. 202(2016)216
Programming language: C++.
Computer: PCs and distributed memory machines.
Operating system: Linux, UNIX.
RAM: Depending on the problem; megabytes to gigabytes
Supplementary material: A file containing the expected results from the test run can be downloaded.
Keywords: Partial differential equation, Gross-Pitaevskii equation, Enhanced Newton method, Fully implicit Crank-Nicolson, Finite element methods, Excited states solutions, Stationary and non-stationary states.
Classification: 4.3, 4.12.

External routines: MPI, GSL, LAPACK, P4EST, PETSC, deal.II

Nature of problem:
Solving the Gross-Pitaevskii equation for Bose-Einstein condensates in external traps. Stationary solutions: computation of ground- as well as excited states. Real time propagation: calculation of time dependent solutions.

Solution method:
The method of solving for stationary states is based on an enhanced version of the Newton algorithm developed in [1]. An implicit Crank-Nicolson scheme is used for real-time propagation. Both methods use adaptive finite element methods based on the library deal.II.

The one-dimensional programs run only on single core.

Additional comments:
This package generates 8 executables, (i) breed_1, (ii) breed, (iii) breed_cs, (iv) rtprop_1, (v) rtprop, (vi) rtprop_cs, (vii) gen_params , (viii) gen_params_cs

Running time:
Depending on size of problem: from seconds (ground state calculations) to minutes (small no. of excited states, short timescale real-time propagation) up to several days (large no. of excited states and large scale real time propagation).

[1] Z. Marojević, E. Göklü and C. Lämmerzahl Energy eigenfunctions of the 1D GrossPitaevskii equation, Comp. Phys. Comm. 184, 8 (2013), 1920-1930.