[molpro-user] Can I get electrostatics over a whole grid?

[David Cerutti]

Hello,

I have been using the solution described here to compute electrostatic
properties of molecules:

http://www.molpro.net/pipermail/molpro-user/2008-September/002606.html

I have written python scripts to help automate the process and produce as
many points as I want for a particular conformation.  However, it still
seems rather slow and there are situations where I might want many more
points, spaced on a dense grid surrounding the molecule.  Think of a 0.2A
grid, or thereabouts.  On the order of millions of points for one molecule
in a single conformation.  Gaussian can do this in a matter of minutes;
ORCA can do it but it's a tad slower.  Does anyone know of a way to do this
with MolPro?

Thanks!

Dave
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