Closed pufopc closed 7 years ago
Hi, I'm trying to do a simulation in which the adsorbate is polarized and there is an external electric field acting on it. Is this implemented in RASPA? If not, where do you need to modify the code to do that?
I'd recommend emailing David Dubbeldam, who's the author of this library.
Thanks, I followed the advise and contacted him.
Hi, I'm trying to do a simulation in which the adsorbate is polarized and there is an external electric field acting on it. Is this implemented in RASPA? If not, where do you need to modify the code to do that?