Hessian calculation in QM

[chrinide]

Dear Ksenis,

It is possible to get Hessian calculation in QM?

[briling]

Hi @chrinide

Sorry I never saw the issue and assume you are not interested anymore...

Still, the analytical Hessian would be very cumbersome to implement, but I can add a numerical one (if it's still needed)

[chrinide]

Hi @chrinide

Sorry I never saw the issue and assume you are not interested anymore...

Still, the analytical Hessian would be very cumbersome to implement, but I can add a numerical one (if it's still needed)

Dear Ksenis,

Thanks so much for your kindly reply.

Numerical Hessian is very good, I am very glad that you will code it.