Hi, Thank you for helping me to run psi4 calculation. I am running psi4 calculations through windows. May I know if there is a possibility to run psi4 calculations on a batch? For example, if I need to run optimization for some 30 compounds, can I run all these calculations on one command line provided all the input files are given? Thank you.
- Please start a new topic when you have a new question, unrelated to your old one.
- This is not a Psi4 feature, because then the output files would contaminate each other. Create a script in another language to handle this for you.
Thank you for the response.