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Reference Interaction Site Model for molecular fluids

The C program rism0

rism0 is an XRISM program. See the prog/README.md under program for details.

Features

Solvers

  • Picard solver
  • Labik-Malijevsky-Vonka solver
  • modified (MDIIS) solver

Closures

  • PY
  • HNC
  • KH

The JavaScript translation

The C program is translated to JavaScript.

HTML5/JavaScript application in web

Download

GitHub (source code only)