A question about Psi4 Input file

[woody_y]

Hi,guys, i am a new hand of using Psi4. I watched the video tutorial on Youtube recently.
When I generate PSI input file from Avogadro accroding to the video(https://youtu.be/ou0dltm4zl4) and run program. It reminds error. Doesn’t auto_fragments(’’) function work?
Input file:

Output file:

Thank you for your help！

[hokru]

The auto_fragments() function takes no argument, remove the ' and it should work.
Does Avogadro generate the wrong function?

[woody_y]

oh,thanks for your answer, i revise the input file according to your suggestion,
but it also doesn’t work. it remind me that i does not define 2 fragments.

of course, i can use the a line reading --to define 2 fragments
But if i doesn’t do this, can i use auto_fragments function to define? the video tutorial (https://youtu.be/ou0dltm4zl4) also use the input file from Avogadro and it works.

[hokru]

Ah sorry, I didnt pay attention. You need to specify what molecule object the SAPT calculation should use. You can do it like this:

energy('sapt0', molecule=auto_fragments())

[woody_y]

wow, it really works. Very appreciate your aid