SCS-CCSD optimization

Gets Around

1:29:32 PM PDT - Thu, Sep 25th 2014
Hi, Is it possible to optimize geometry with SCS-CCSD?

Forum Vet

1:40:48 PM PDT - Thu, Sep 25th 2014
No, we don't have this in place yet. However, you might be able to write a script from the python interface to perform SCS-CCSD gradients.