Hi Nathan,

 

We are using the “noinput.py” version of APBS.  We are trying to access the energy and force vector at a Python level.  We can not get the numerical values but instead only a reference to an object.  How would we be able to access the numerical values?

 

We are referring to the variables returned by main(…) (these are ENERGY and FORCES).

 

Thanks,

Markus

 

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Dr. Markus Buehler
Director, Multiscale Modeling and Software Integration
Materials and
Process Simulation Center
Beckman Institute M/C 139-74
California Institute of Technology
1201 East California Blvd., Pasadena, 91125, CA, USA
Email
mbuehler@wag.caltech.edu
Homepage
http://www.wag.caltech.edu/home/mbuehler/
Phone (626) 395 8137 or (626) 628 4087, Fax (626) 585 0917
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