jimlutsko / classicalDFT
☆9Updated last month
Alternatives and similar repositories for classicalDFT:
Users that are interested in classicalDFT are comparing it to the libraries listed below
- A classical Density Functional Theory code to calculate the properties of hard spheres or Lennard-Jones particles in planar geometry i.e.…☆16Updated 2 weeks ago
- ☆13Updated 3 years ago
- An python script implementation to solve classical Density Functional Theory for Lennard-Jones fluids on 1D and 3D geometries☆15Updated 4 months ago
- An interactive structure viewer alongside its simulated diffraction pattern☆18Updated 2 weeks ago
- A C++ library for the efficient evaluation of integrals over effective core potentials.☆28Updated 8 months ago
- A python package for classical Density Functional Theory (cDFT). This package allows you to find the equilibrium density profile of an in…☆25Updated 3 years 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…☆15Updated 7 years ago
- Builder for molecular systems☆16Updated last year
- ☆11Updated 2 weeks ago
- Massively parallel hybrid particle-field molecular dynamics in Python.☆27Updated 5 months ago
- Python interface to the KIM API. See https://openkim.org/kim-api for more information about the KIM API.☆16Updated 6 months ago
- SMolSAT.py: Soft-Matter Molecular Simulation Analysis Toolkit☆13Updated 2 months ago
- A generic and fast solver of mode-coupling theory-like integrodifferential equations☆16Updated 4 months ago
- ☆16Updated 3 years ago
- Polymer Self-Consistent Field Theory (C++/CUDA version)☆34Updated this week
- Tool for finding atomic environments in crystal structures☆21Updated 7 months ago
- Many-body dispersion library☆54Updated 4 months ago
- python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parall…☆17Updated 2 weeks ago
- Bottom-up Open-source Coarse-graining Software☆17Updated 6 months ago
- A Python package to compute and analyze transport properties.☆11Updated 6 months ago
- pyOZ: An iterative Ornstein-Zernike equation solver☆7Updated last year
- Molecular dynamics and Monte Carlo simulation package for polymeric and molecular liquids☆31Updated 2 years ago
- Toolkit using the Atomistic Simulation Environment (ASE)☆19Updated 4 years ago
- ☆42Updated 4 years ago
- A simple cube file viewer based on pythreejs☆24Updated last year
- Active learning workflow developed as a part of the upcoming article "Machine Learning Inter-Atomic Potentials Generation Driven by Activ…☆27Updated 3 years ago
- Atomistic Topology Operations in Matlab, scripts for manipulation of molecular dynamics or monte carlo simulation systems☆19Updated this week
- A Python assistant for performing and analyzing molecular dynamics simulations of soft matter systems☆14Updated this week