P.J.Knowles at bham.ac.uk
Thu May 10 09:17:47 BST 2001
We decided in the end to make patch 2000.1.dft_grad_sym, which you can
now apply to fix the problem.
Peter Knowles wrote at 20:52 on 9 May 2001:
> This bug (if you really care,
> http://www.tc.bham.ac.uk/bugzilla/show_bug.cgi?id=48) was recently
> fixed in the development version of the code, but we haven't also made
> a patch for 2000.1 since we hope that 2000.1 will be history soon. If
> you vote that you would like the fix now, we'll make the patch.
> Charles Doubleday wrote at 15:09 on 9 May 2001:
> > Molpro apparently has a bug in its finite-difference frequency code.
> > The Molpro 2000.1 manual lists the following example in which the input
> > file h2o_freqdft.com produces an output file h2o_freqdft.out.
Prof. Peter J. Knowles
Email P.J.Knowles at bham.ac.uk Phone +44-121-414-7472 Fax +44-121-414-7471
School of Chemistry, Univ. of Birmingham, Edgbaston, Birmingham, B15 2TT, UK.
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