FSAPT sample input


I am interested in running some FSAPT calculations. Where can I find sample inputs?


Hi Arka,

We’re planning to put together documentation and examples for this quite soon and release in the next minor update.


Cool! Looking forward to that.


I am also interested in this function. Has the input samples been available?

Thanks and best regards,

Yes, new documentation and examples have now been written. We are in the process of merging in these changes. We just completed two major infrastructure upgrades, and we are still cleaning up a little from that. These changes might be available as soon as the next stable nightly build is released.

Happy to know that! Thank you for your great efforts. All the best and Good Luck!

@wanJ @arka Very recently, we have added documentation for F-SAPT to the users manual, available here.

Thanks for adding these features! and letting us know…

Thank you a lot and Best Wishes!