J-ICE a Jmol interface for crystallographic and electronic properties

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pieremanu...@gmail.com

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Oct 25, 2010, 7:03:36 AM10/25/10
to Quixote project on QC databases - Developers
Dear all,

I would like to inform you that I have released my first project,
which relies entirely on Jmol.
Its name is J-ICE which stand for: a Jmol interface for
crystallographic and electronic properties.

J-ICE allows users to visualize, to build and to manipulate complex
input/output results (deriving from modelling) entirely via a web-
server, i.e. without the burden of installing complex packages.

Currently J-ICE focuses only on rendering and handling crystal
structures and their properties as resulting from the application of
modern programs such as CRYSTAL09, CASTEP, FHI-aims, QUANTUM ESPRESSO,
VASP, Wien2K, etc..

In a nutshell J-ICE extracts, manipulates and organizes properties
like energy, geometry optimization, IR frequency, magnetic moment,
etc, result of modeling simulations, carried out with popular
computational codes for solid state (see above).

J-ICE is released under the GNU agreement and its project page can be
browsed at http://j-ice.sourceforge.net/. The application it self is
available for browsing at the this address http://j-ice.sourceforge.net/ondemand/index.html.
Alternatively you can download it at https://sourceforge.net/projects/j-ice/
.


Comments and suggestion are welcomed.

PS If you are interested in J-ICE just e-mail me.

Best regards, Piero
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