Ross,
That is some old stuff one of my postdocs checked in and never wrote down.
sorry
you can comment that part of the code off.
someday soon we will fix that.
On 3/18/10 6:01 PM, Ross Walker wrote:
> Hi All,
>
> Does anybody know why the DFTB code is writing CUBE.dat and DISP.CHEK files
> on every run?
>
> Right now my test directories are full of these and there doesn't seem to be
> any check in place to
>
> 1) turn this output off (it hurts performance I think)
>
> 2) test this output against known save files.
>
> All the best
> Ross
>
> /\
> \/
> |\oss Walker
>
> | Assistant Research Professor |
> | San Diego Supercomputer Center |
> | Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
> | http://www.rosswalker.co.uk | http://www.wmd-lab.org/ |
>
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>
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>
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--
Dr. Adrian E. Roitberg
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Quantum Theory Project
Department of Chemistry
Senior Editor. Journal of Physical Chemistry
American Chemical Society
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P.O. Box 118435 FAX 352 392-8722
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Received on Thu Mar 18 2010 - 15:30:03 PDT
