g09.propnbo6 doesn't use ending for archive file

polyluxus / tools-for-g09.bash

Various bash scripts to aid the use of the quantum chemistry software package Gaussian 09.

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Closed polyluxus closed 6 years ago

polyluxus commented 6 years ago

g09.propnbo6 <basename>.com

produces correctly <basename>.nbo6.com, but contains the wrong archive line

$NBO
  archive file=<basename>
$END

It should use archive file=<basename>.nbo6 instead.