--constrain does not create file

crest-lab / crest

CREST - A program for the automated exploration of low-energy molecular chemical space.

https://crest-lab.github.io/crest-docs/

GNU Lesser General Public License v3.0

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--constrain does not create file #279

Open cassguff opened 6 months ago

cassguff commented 6 months ago

I tried creating the constraints input file by using the "--constrain " keyword. It runs and says "<.xcontrol.sample> written. exit." But I do not see any new file created. Is this a bug? Or is this file created in a different place than the current directory? I can't find it.

pprcht commented 6 months ago

It creates it, but all files starting with "." are hidden files by default on unix systems. You should be able to open it from the command line.

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