Hi
I unfortanatly need to change the cluster for the sharc calculations! (same sharc (3.0) and orca version (5.0.3)), but unfortanaly theodore is not avaiable at the moment on the new one. Is there a possiblity to do the sharc md without Theodore?
It works when I restart the complet calculation (eg remove the restart keyword in the input file). But somehow when I dont remove the Restart keywords It still assumes to have Theodore (even though I have removed the Theodore keywords in the input file). I have the issue Im having was clear. If not let me know.
let me know if you need one of the TRAjs
Best
Jakob