mrccdental
unread,Feb 19, 2012, 12:30:50 AM2/19/12Sign in to reply to author
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to numexpr
Numexpr is awesome, but in my project (quantum chemistry), I often
deal with multidimensional arrays and I often need to reshape arrays
and permute certain axes. My assumption is that functions like
transpose() and reshape() will also benefit greatly if they are
supported by Numexpr. I wonder if that is a feasible request.
With these two functions implemented, general tensor contraction,
ubiquitous in quantum chemistry (QC) programs (more precisely, this is
the dominant part of huge QC packages), can be coded easily (in Numpy
fashion) and efficiently (numexpr speed).
Thanks.