[cctbxbb] alternative to scipy.linalg.eig

[Gildea, Richard (DLSLtd,RAL,LSCI)]

scitbx.linalg.eigensystem?

>>> from scitbx.array_family import flex
>>> from scitbx.linalg import eigensystem
>>> m = flex.double((-2, -4, 2, -2, 1, 2, 4, 2, 5))
>>> m.reshape(flex.grid(3,3))
>>> es = eigensystem.real_symmetric(m)
>>> list(es.values())
[6.999999999999998, 2.0, -5.0]
>>> list(es.vectors())
[0.36514837167011327, 0.18257418583505025, 0.9128709291752769, -0.4472135954999558, 0.8944271909999169, 5.177854513745429e-15, 0.816496580927726, 0.4082482904638631, -0.40824829046386296]

Dr Richard Gildea
Data Analysis Scientist
Tel: +441235 77 8078

Diamond Light Source Ltd.
Diamond House
Harwell Science & Innovation Campus
Didcot
Oxfordshire
OX11 0DE
________________________________
From: cctbxbb-bounces at phenix-online.org <cctbxbb-bounces at phenix-online.org> on behalf of Robert Oeffner <rdo20 at cam.ac.uk>
Sent: 10 December 2020 14:57
To: cctbx mailing list <cctbxbb at phenix-online.org>
Subject: [cctbxbb] alternative to scipy.linalg.eig

scipy.linalg.eig is useful for diagonalising a 3x3 matrix to find
eigenvalues and eigenvectors. Does anybody know if there is code in
CCTBX which can also do this?


Rob


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