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tools-for-g09.bash
Various bash scripts to aid the use of the quantum chemistry software package Gaussian 09.
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Chk2xyz allfiles
#9
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polyluxus
closed
6 years ago
polyluxus
commented
6 years ago
chk2xyz
has now a switch so that you can run it on a directory for easier archiving
few improvements to other scripts, handling options, and writing short help pages
wrapper has now short options for lesser typing
chk2xyz
has now a switch so that you can run it on a directory for easier archiving