4 Matching Annotations
  1. Oct 2021
    1. Both sander and NAB have MPI implementations of 3D-RISM

      3D-RISM is only available in sander and NAB, and MPI is supported

    2. an approximate closure relation must beused. While many closures have been developed, at this time only three are implemented in 3D-RISM:

      HNC, KH and PSE-n are 3 approximate closure relations implemented in Amber