sharc
sharc copied to clipboard
SHARC mit pysharc-directory
Dear all
I have realized that all the jobs I intended to run with the normal SHARC module have run (by accident). So, to be clear, I have set a path for pysharc to the pysharc bin and one for sharc to the sharc bin. I did, by accident, use the pysharc, even though I did all the preparation accordingly to the SHARC and have run it until some point with SHARC. Initially, I tried to run LVC SHARC with the same script, but I have not changed it until now. Is this a problem, or does it only depend on the option I chose when setting up the traj in the first place?
I hope it is the second.
If it helps to look at one of the traj folders let me know.
Thank you
Best Jakob