molpro-parser



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
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 | http://python.jochen-kuepper.de/jkext
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 Feel free to send comments, suggestions, patches, or simply snippets
 of output files you would like the script to extract.
 Greetings,
 Jochen
 --
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