Subject: lin.alg.? (basis set in the orthog. subspace)

From: Vitaly Rassolov <[email-masked]>
Date: Wed, 7 Apr 1999 15:48:47 -0500 (CDT)

Does anyone know the efficient algorithm/subroutine for calculating the
basis in the orthogonal subspace?  Or, more precisely:
  Given N M-dimensional vectors, how to find (M-N) M-dimensional
orthonormal vectors, each of them being orthogonal to the each of the N
original vectors.

This seems to be a very universal problem, yet I couldn't find anything in
LAPACK/NETLIB/Numerical Recipies.

Any help will be very much appreciated

_______

Vitaly Rassolov                      [email-masked]
Chemistry Department                 tel. (847) 491-3423
Northwestern University              fax  (847) 491-7713

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From: Artem Masunov <[email-masked]>
Date: Wed, 7 Apr 1999 18:35:24 -0400 (EDT)

Dear CCLers,
Is there any FORTRAN code for calculation of atomic charges in molecules
based on electronegativities (or any other empirical rules)?
I will appreciate any hints.

Thank you for help,
Artem

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