tinker icon indicating copy to clipboard operation
tinker copied to clipboard

vdw array added

Open momokchung opened this issue 1 year ago • 0 comments

Hi Jay, I added two arrays radvdw and epsvdw, which are 1D arrays for the van der Waals radii and well depth. I've included the setup in the kvdw.f routine and dellocation in the final.f routine. We would need this for Tinker9 implementation of the ewca routine. Thanks!

momokchung avatar May 29 '23 18:05 momokchung