hanks in advance for any help you can offer.
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t I've noticed about this case: I can compute the
eigenvalues using eigvals and eigvalsh, and can compute the eigenvals/vecs
using eig(). The matrix is real symmetric, and I've tested that it's
symmetric enough by forcibly symmetrizing it.
Thanks in advance for any help you can offer.
looks like g is
> probably a scalar, but your code isn't showing where cut comes from,
> nor have you printed out it's type... is it an array?
>
> Zach
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g some unique bug in numpy. Can anyone help me out?
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Rick Muller
rpmul...@gmail.com
505-750-7557
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s has been resolved.
Thanks!
Rick
http://mail.scipy.org/pipermail/numpy-discussion/2010-September/052584.html
On Tue, Sep 7, 2010 at 1:23 PM, Ondrej Certik wrote:
> Hi Rick!
>
> On Fri, Sep 3, 2010 at 4:02 AM, Rick Muller wrote:
> > Can someone help me replace a slow expression w
Sweet! Guess I need to learn more about numpy indexing: this is pretty
powerful.
On Fri, Sep 3, 2010 at 10:42 AM, Keith Goodman wrote:
> On Fri, Sep 3, 2010 at 9:39 AM, Rick Muller wrote:
> > There just *has* to be a better way of doing this. I want to cut off
> small
> >
nc
that would do something like this more directly? The naive things I've tried
didn't work, e.g.
>>> def cut(a,tol=1e-10):
>>> if less(absolute(a),tol):
>>> a = 0
>>> return
--
Rick Muller
rpmul...@gmail.com
505-750-7557
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Josef and Pauli,
Wow, you guys rock! I'm amazed you could pull that out so quickly.
I thank you, and PyQuante thanks you (hopefully this will make for faster
density functional theory grids).
Rick
On Fri, Sep 3, 2010 at 5:59 AM, wrote:
> On Fri, Sep 3, 2010 at 7:48 AM, Rick Mulle
= zeros(n,'d')
>>> for i in xrange(n):
>>>AB[i] = dot(A[i,:],B[i,:])
only I don't want the for-loop. The various things I've tried with dot and
tensordot inevitably give me a n x n matrix, which isn't what I want. Can
anyone help me find an easier
matrix instead of an n x 1 vector.
Reading the notes on tensordot makes me think it's the function to use, but
I'm having trouble grokking the axes argument. Can anyone help?
Thanks in advance!
--
Rick Muller
rpmul...@gmail.com
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Argh! I mixed up where the .H went!!
Thanks for pointing out the mistake. Thought it was something mindless.
On Fri, Feb 26, 2010 at 2:18 PM, wrote:
> On Fri, Feb 26, 2010 at 4:01 PM, Rick Muller wrote:
> > I'm making a mistake here, one that I suspect is a dumb error. I'm
n I try to do:
print Uy.H * diag(Ey) * Uy
rather than getting Y back, I get:
[[ 0.+0.j -1.+0.j]
[-1.+0.j 0.+0.j]]
I also tried
dot(Uy.H,dot(diag(Ey),Uy))
to make sure this isn't a matrix/array problem with the same result. Can
someone spot what I'm doing wrong?
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Rick Mulle
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