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Manuscript Title: An object oriented Python interface for atomistic simulations
Authors: T. Hynninen, L. Himanen, V. Parkkinen, T. Musso, A. S. Foster, J. Corander
Program title: Pysic
Catalogue identifier: AEYE_v1_0
Distribution format: tar.gz
Journal reference: Comput. Phys. Commun. 198(2016)230
Programming language: Python, Fortran 90.
Computer: Program has been tested on Linux and OS X workstations, and a Cray supercomputer.
Operating system: Linux, Unix, OS X, Windows.
RAM: Depends on size of system
Keywords: Simulation environment, Object oriented programming, Python, Fortran.
Classification: 7.7, 16.9, 4.14.

External routines: Atomic Simulation Environment, NumPy necessary. Scipy, Matplotlib, HDF5, h5py recommended. The random number generator, Mersenne Twister, is included from the source: http://www.math.sci.hiroshima-u.ac.jp/~m-mat/MT/VERSIONS/FORTRAN/mt95.f90

Nature of problem:
Automated simulation control, interaction tuning and an intuitive interface for running atomistic simulations.

Solution method:
Object oriented interface to a flexible classical potential.

Additional comments:
User guide: http://thynnine.github.io/pysic/

Running time:
Depends on the size of system.