2AUK / pyRISM Star 16 Code Issues Pull requests Implementation of the Reference Interaction-Site Model (RISM) equation rust chemistry computational-chemistry rust-lang scientific-computing computational-science solvation-structure liquids rism ornstein-zernike molecular-liquids atomic-liquids xrism drism Updated Jul 22, 2024 Rust
LANIMFE / LiquidsStructure.jl Star 6 Code Issues Pull requests Julia library that provides routines to calculate the structure factor of liquids structure-factor liquids ornstein-zernike Updated Dec 3, 2021 Julia
IlianPihlajamaa / OrnsteinZernike.jl Star 6 Code Issues Pull requests A generic solver for Ornstein-Zernike equations from liquid state theory julia integral-equations liquid-state-theory ornstein-zernike Updated Oct 4, 2024 Julia
Mjboothaus / PhD-Thesis Star 1 Code Issues Pull requests Reimplementation of the code used in my PhD thesis - Charged fluids near interfaces: Integral equation theory thesis interface structure equation liquid fluid integral oz surface electrolyte lennard-jones charged ornstein-zernike Updated Aug 28, 2024 Jupyter Notebook