[RMCProfile-users] BVS Constraints Syntax

[Dennis Chen]

Hello,

I have a question regarding the syntax of input values in the subordinate
keyword lines under BVS.

The manual indicates that for RIJ values, we do not include like-atom
pairs. So for a 4 atom configuration I should put in values for 1-2 1-3 1-4
2-3 2-4 3-4 atom pairs. Does this equally apply to BVAL :: and CUTOFF ::
subordinate keywords?

Thanks,

Dennis
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.rmcprofile.org/pipermail/rmcprofile-users/attachments/20160619/07e7a5fc/attachment.html>