A python package for classical Density Functional Theory (cDFT). This package allows you to find the equilibrium density profile of an inhomogeneous one-component hard-sphere or truncated Lennard-Jones fluid in contact with a smooth planar surface, smooth solute or confined within a slit with smooth walls. These surfaces and solutes can be hard …
☆28Jan 5, 2022Updated 4 years ago
Alternatives and similar repositories for cDFT_Package
Users that are interested in cDFT_Package are comparing it to the libraries listed below
Sorting:
- ☆13Feb 8, 2022Updated 4 years ago
- A classical Density Functional Theory code to calculate the properties of hard spheres or Lennard-Jones particles in planar geometry i.e.…☆17Feb 6, 2025Updated last year
- The Density Functional Theory for Electrolyte Solutions☆10Sep 13, 2022Updated 3 years ago
- An python script implementation to solve classical Density Functional Theory for Lennard-Jones fluids on 1D and 3D geometries☆24Oct 4, 2024Updated last year
- ☆10Oct 14, 2025Updated 4 months ago
- classical density-functional theory☆32Jul 26, 2022Updated 3 years ago
- A collection of tools I created related to the molecular simulations package RASPA.☆12Dec 4, 2023Updated 2 years ago
- BET Surface Identification - a program that fully implements the rouquerol criteria☆15Jul 6, 2023Updated 2 years ago
- Physics Informed Neural Network (PINN) for a projectile motion.☆14Jul 16, 2020Updated 5 years ago
- A generic solver for Ornstein-Zernike equations from liquid state theory☆14Dec 2, 2025Updated 2 months ago
- Data files which may be used to test examples accompanying the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. T…☆15Oct 7, 2017Updated 8 years ago
- A universal file format for gas adsorption experiments☆22Jan 6, 2026Updated last month
- DESPASITO: Determining Equilibrium State and Parametrization Application for SAFT, Intended for Thermodynamic Output☆20Feb 6, 2025Updated last year
- A generic and fast solver of mode-coupling theory-like integrodifferential equations☆21Oct 10, 2025Updated 4 months ago
- BET Surface Identification - a program that fully implements the rouquerol criteria☆21Jun 21, 2023Updated 2 years ago
- Simulates molecular adsorption and diffusion on nanoporous materials.☆18Dec 13, 2024Updated last year
- zeo++ fork of the LSMO☆23Dec 19, 2022Updated 3 years ago
- Input script for Monte Carlo (GCMC) simulations☆20Sep 5, 2024Updated last year
- Implementation of the Reference Interaction-Site Model (RISM) equation☆25Mar 26, 2025Updated 11 months ago
- Python interface for Enhanced Monte Carlo (EMC)☆23Updated this week
- A Python library to apply the Marginal Standard Error Rule (MSER) for transient regime detection and truncation on Grand Canonical Monte …☆28May 8, 2025Updated 9 months ago
- Computational chemistry software tutorials☆27Jan 15, 2019Updated 7 years ago
- [UNMAINTAINED] Lammps data file creation☆28May 28, 2018Updated 7 years ago
- GPU Monte Carlo Simulation Code with a taste of RASPA☆79Jan 4, 2026Updated last month
- This software is a general purpose classical simulation package. Online documentation available at:☆91Feb 19, 2026Updated last week
- Open Source Exascale Quantum Chemistry Software☆30Feb 3, 2026Updated 3 weeks ago
- ☆41Jan 17, 2025Updated last year
- GOMC - GPU Optimized Monte Carlo is a parallel molecular simulation code designed for high-performance simulation of large systems☆85Updated this week
- Package to run atomic / molecular Monte Carlo simulations☆21Updated this week
- A Transfer Learning Study of Gas Adsorption in Metal-Organic Frameworks☆14Jul 15, 2020Updated 5 years ago
- Discretization methods for porous media flow problems.☆12Jan 10, 2023Updated 3 years ago
- ☆11Apr 5, 2022Updated 3 years ago
- 油藏数值模拟☆12Apr 3, 2018Updated 7 years ago
- The future of Packmol☆40Updated this week
- potfit force-matching code☆42Feb 21, 2024Updated 2 years ago
- FeOs - A Framework for Equations of State and Classical Density Functional Theory☆177Feb 20, 2026Updated last week
- This is a mirror, please report bugs to☆11Updated this week
- ☆29Jan 15, 2026Updated last month
- Totally Open Pressure Swing Adsorption Intensification Laboratory☆18Nov 2, 2025Updated 4 months ago