On Mon, Dec 18, 2023, Dulal Mondal via AMBER wrote:
>Can anyone help me How can I perform tree code summation in 3D-RISM?
I don't understand the question. The "tree code" part of 3D-RISM is mainly
a way to accelerate the calculation. You could turn it off, but that just
makes things slower, for nearly the same result. The default parameters
should usually work pretty well. But this is a hidden part of the program:
users would not generally "perform the tree code summation" themselves.
Can you say more about what you are really trying to do? How does 3D-RISM
come into the picture?
....dac
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Received on Tue Dec 19 2023 - 11:30:03 PST
