I am new to Psi4. In the manual and tutorials, when commands are shown with no prompt, does this indicate using Psi4 as an executable and running it from the terminal? In contrast, when the “>>>” prompt is shown, does this indicate running Psi4 as a python module in a python environment? Thank you for clarifying this for me.
Not quite.
“>>>” indicates something typed in the command line. No “>>>” indicates part of a file. Depending on context, this is either an output file, an input file for Psi through Python, or an input file for Psi through executable.
Is there a particular example that’s confusing you? I’ve been with Psi long enough that I can disambiguate on sight, but that’s clearly not the case for you.
Thank you for replying!
I was confused from the very beginning of the Psi4 manual in its explanation of basic input file structure, e.g.,
" >>> psi4 input-name output-name"
Because “>>>” is the symbol for the command prompt in the terminal when running python.
Nevertheless, I had chosen to treat this as a normal command in the Linux terminal.
Later in the manual in the section on “Using Psi4 as a Python Module”, although the examples pertained to a python environment, there was no “>>>” prompt. However, I could see from the context that the various commands were being carried out in a python environment.
Therefore, I now understand, and I appreciate your confirmation of the conventions conventions used in the Psi4 documentation.