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Published 20 hours ago • verified publisher icon sharc-md

Reg ORCA_freq.py error

Open Roolthasiva opened this issue 2 years ago • 0 comments

Converting ORCA log to ORCA_freq.py cmd: python2 ORCA_freq.py orca.log Error: Reading data from file orca.log... Traceback (most recent call last): File "/home/sharc/soft/sharc-2.1.2/bin/ORCA_freq.py", line 137, in intdict[int(l[0])]=float(l[2]) ValueError: could not convert string to float: km/mol

Thanks &Regards P. SIVASAKTHI

Roolthasiva avatar Sep 11 '22 10:09 Roolthasiva