Graphical model builder for CP2K.

agilemolecule agilem... at gmail.com
Mon Jul 27 13:52:14 UTC 2009


Dear CP2K users,

Let us introduce the new version of Ascalaph Quantum program.
http://www.agilemolecule.com/Ascalaph/Ascalaph_Quantum.html
Since version 1.3 it supports interface with CP2K.

This is a very simple interface. It is designed to develop a molecular
mechanics force fields. Nevertheless, the program can be useful for
quantum-chemical calculations as a builder of initial models and
generator of input templates for CP2K.

At the moment it is a Windows program. It includes the binary
executable CP2K file, as well as a cygwin project in which it was
compiled. Port for Linux in plans.

The program is distributed under the GPL terms.
Further redistributions  are welcome.

Best wishes,
Alexey




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