Hi. I am trying to run multiple caspt2 calculations in the same folder. Each calculation creates "casscf" file for the reference casscf calculations. So, if I want to run all jobs at once there will be a problem with having the same name for the casscf part of all calculations. How can I specify different name except the default name for that?
Hi. I am trying to run multiple caspt2 calculations in the same folder. Each calculation creates "casscf" file for the reference casscf calculations. So, if I want to run all jobs at once there will be a problem with having the same name for the casscf part of all calculations. How can I specify different name except the default name for that?
Many thanks