Programs in Physics & Physical Chemistry
|[Licence| Download | New Version Template] aezd_v1_0.tar.gz(403 Kbytes)|
|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.
The method of solving for stationary states is based on an enhanced version of the Newton algorithm developed in . 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.
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
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).
|||Z. Marojević, E. Göklü and C. Lämmerzahl Energy eigenfunctions of the 1D GrossPitaevskii equation, Comp. Phys. Comm. 184, 8 (2013), 1920-1930.|
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