As some may have seen already, Avogadro 2 has a Van der Waals spheres display
type with Ambient Occlusion. However, this is not nicely integrated with the
overall rendering code and this mail contains information on how I plan to
integrate this. I'm currently moving so I plan to start
Hi guys,
Would good project be to re-wire Avogadro to use cclib instead of relying on
the quantumio in Avogadro2? I'm very much in favor of adding visualization
capabilities for QuantumEspresso and CP2K.
Albert
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Albert DeFusco, Ph.D.
On Thu, Dec 11, 2014 at 4:14 PM, Defusco III, Albert A defu...@pitt.edu wrote:
Hi guys,
Would good project be to re-wire Avogadro to use cclib instead of relying on
the quantumio in Avogadro2? I'm very much in favor of adding visualization
capabilities for QuantumEspresso and CP2K.
You
On Mon, Dec 8, 2014 at 3:00 PM, Michael Banck mba...@gmx.net wrote:
On Mon, Dec 08, 2014 at 10:53:50AM -0500, Geoffrey Hutchison wrote:
The deadline for applying to be a mentoring organization for Google
Summer of Code is fast approaching.
I'm not sure precisely where to hang our hat (e.g.,
I think Albert was talking about a glue layer for quantum io, not for
regular input. Regular input is probably best handled through Open Babel,
since that already handles bond perception, typing, etc.
Right now, Avogadro v1 and v2 have separate code for reading basis set and MO
information
