Read Molpro output

[zhaiyusci]

Dear developers,
Hi!

Do you have a plan to write a parser for Molpro outputs? We use Molpro to perform CCSD(T)-F12 calculation, which is accurate to give frequencies. It can be post-processed by TAMkin, especially using the NMA functions.

If you do not have spare time, I can write it and contribute.

Yours,
Yu

[tovrstra]

I was not planning to write it (due to other priorities). I'm happy to review your contribution though. In that case, could you include unit tests, similar to the other io functions? Thank you!

[zhaiyusci]

Dr. Verstraelen,

I wrote some code to contribute. I hope you like it.

Yu