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Subject: molpro-parser
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Date: 26 Apr 2002 15:36:55 -0400
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I got tired of retyping my grep-regexps and struggling with multiline
matches again and again, so I wrote a small python script
'molpro-parser' to extract information from molpro output files.
Currently it supports extracting energies, rotational constants, and
variable sections of geometry optimizations.  It can operate on
multiple files at once and can be used as a stdin--stdout filter.

The script is available at 
,----
| http://python.jochen-kuepper.de/jkext
`----

Feel free to send comments, suggestions, patches, or simply snippets
of output files you would like the script to extract.

Greetings,
Jochen
-- 
University of North Carolina                       phone: +1-919-962-4403
Department of Chemistry                            phone: +1-919-962-1579
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