Possible bug in dymmodes2xyz.pl

Vasp transition state theory tools

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jas5358
Posts: 1
Joined: Mon Jun 11, 2012 5:45 pm

Possible bug in dymmodes2xyz.pl

Post by jas5358 »

The command line arguments after (moviefolder) don't appear to get assigned to the "correct" (based on the documentation here: http://theory.cm.utexas.edu/vtsttools/scripts/#DYM) variables. Currently, if I specify an amplitude of 0.3, I get an error saying that the script couldn't open 0.3/mode001.xyz.

Thanks!
mthammer
Posts: 1
Joined: Tue Jul 24, 2012 5:06 pm

Re: Possible bug in dymmodes2xyz.pl

Post by mthammer »

We have updated the code to match the description. It should work fine now.
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