Currently, the .log output file created always has the title -> '\$(basename "\$INPUTFILE" .com).log'
To change this alteration to the function that creates the SLURM file is required.
More specifically the line that is -> file.write(f'OUTPUTFILE="\$(basename "\$INPUTFILE" .com).log" \n')
Probably change will be -> file.write(f'OUTPUTFILE={dimer_name}.log" \n')
CORRECTION - TWO files are being made currently one that is correct with all the information and one that has nothing in it
Currently, the .log output file created always has the title -> '\$(basename "\$INPUTFILE" .com).log'
To change this alteration to the function that creates the SLURM file is required.
More specifically the line that is -> file.write(f'OUTPUTFILE="\$(basename "\$INPUTFILE" .com).log" \n') Probably change will be -> file.write(f'OUTPUTFILE={dimer_name}.log" \n')
CORRECTION - TWO files are being made currently one that is correct with all the information and one that has nothing in it