GADGET optimization in internal coordinates in vasp 5?

Queries about input and output files, running specific calculations, etc.


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cpp6f
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GADGET optimization in internal coordinates in vasp 5?

#1 Post by cpp6f » Thu Jan 10, 2013 5:35 am

I noticed that most of the source code for GADGET is already contained in the latest vasp but is not incorporated yet into main.F. How close is it to being fully functional? I would be interested in beta testing if there is a version available since I have extensive experience working with the vasp source code.
Last edited by cpp6f on Thu Jan 10, 2013 5:35 am, edited 1 time in total.

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GADGET optimization in internal coordinates in vasp 5?

#2 Post by admin » Fri Jan 11, 2013 1:13 pm

GADGET is not fully integrated in the vasp code.
Last edited by admin on Fri Jan 11, 2013 1:13 pm, edited 1 time in total.

cpp6f
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GADGET optimization in internal coordinates in vasp 5?

#3 Post by cpp6f » Fri Jan 11, 2013 7:33 pm

Do you expect it to be functional within the next year or two, or is it a long way off?
Last edited by cpp6f on Fri Jan 11, 2013 7:33 pm, edited 1 time in total.

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