Posted by Victor Oyeyemi on May 22, 2009 at 00:18:45:

Hi Users and Developers,

I am hoping someone would help me with these questions.

1. Does the Alaska module compute integrals independent of Seward. It says in the manual that Alaska depends on geometry and basis set specification from Seward but nothing is said about the integrals.

2. How can one force Alaska to do analytical gradient during a geometry optimization. The Seward module is used with the Cholesky decomposition option and SCF/6-31Gpp is the reference wavefunction. Numerical_Gradient has a serious problem with my application.

Any help will be greatly appreciated.

Thanks,

Victor.