Quantum Drude oscillator implementation

Dear all

I have just learned about this open source MC suite, and I am eager to start testing it out (I have used Towhee so far). Recently I have started doing some research on polarizable force fields with the quantum drude oscillator that I find very interesting. I have read of people that have used Cassandra for this kind of force fields, but I don't see it mentioned anywhere here. Is there any coordinated development for this kind of force field in Cassandra going on?

Regards
Rasmus

Dear Eliseo

That is very good to hear. In the true spirit of open-source do you then have a development branch I can follow and maybe help on?

Regards
Rasmus

And yes it was the article of Dr. Jiang, but also the internal work in your group I think by Brian Keene energy.nd.edu/assets/199370/brian_keene_final_report_2015.pdf

Any news on the implementations of the Drude oscillator polarizable models? Maybe you could share a developer version that I/we can help in testing and get implemented?

Regards!

Good