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==========================
Frequently Asked Questions
==========================
ASE-GUI
=======
See also the :mod:`ase.gui`.
How do I export images from a trajectory to png or pov files?
-------------------------------------------------------------
With ase-gui, you can choose :menuselection:`File --> Save`, but this is
not fun if you need to do it for many images. Here is how to do it on
the command line for a number of images::
ase gui images.traj@0 -o image0.pov
ase gui images.traj@1 -o image1.pov
ase gui images.traj@2 -o image2.pov
If you have many images, it will be easier to do it using the Python
interpreter:
>>> from ase.io import read, write
>>> for n, image in enumerate(read('images.traj@:3')):
... write('image%d.pov' % n, image, run_povray=True, pause=False,
... rotation='-90x,10z')
Here, we also:
* run povray to generate png files
* disable pausing between the images
* set a rotation (choose :menuselection:`View --> Rotate ...` in ase-gui to
select the best rotation angles)
Try:
>>> help(write)
to see all possibilities or read more :func:`here <ase.io.write>`.
General
=======
.. _cite:
How should I cite ASE?
----------------------
If you find ASE useful in your research please cite:
| Ask Hjorth Larsen, Jens Jørgen Mortensen, Jakob Blomqvist,
| Ivano E. Castelli, Rune Christensen, Marcin Dułak, Jesper Friis,
| Michael N. Groves, Bjørk Hammer, Cory Hargus, Eric D. Hermes,
| Paul C. Jennings, Peter Bjerre Jensen, James Kermode, John R. Kitchin,
| Esben Leonhard Kolsbjerg, Joseph Kubal, Kristen Kaasbjerg,
| Steen Lysgaard, Jón Bergmann Maronsson, Tristan Maxson, Thomas Olsen,
| Lars Pastewka, Andrew Peterson, Carsten Rostgaard, Jakob Schiøtz,
| Ole Schütt, Mikkel Strange, Kristian S. Thygesen, Tejs Vegge,
| Lasse Vilhelmsen, Michael Walter, Zhenhua Zeng, Karsten Wedel Jacobsen
| `The Atomic Simulation Environment—A Python library for working with atoms`__
| J. Phys.: Condens. Matter Vol. **29** 273002, 2017
__ https://doi.org/10.1088/1361-648X/aa680e
An older paper corresponding to an early version of ASE is:
| S. R. Bahn and K. W. Jacobsen
| `An object-oriented scripting interface to a legacy electronic structure code`__
| Comput. Sci. Eng., Vol. **4**, 56-66, 2002
__ http://dx.doi.org/10.1109/5992.998641
BibTex (:git:`doc/ASE.bib`):
.. literalinclude:: ASE.bib
|