Would it be possible to implement more numpy member functions?

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mrccdental

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Feb 19, 2012, 12:30:50 AM2/19/12
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.

Tom

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Jul 19, 2012, 3:11:59 PM7/19/12
to num...@googlegroups.com
Same here.  Also important are in-place updates of entire arrays or subranges, like "a[i,:]+=eps*u"

Tom
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