A classical Density Functional Theory code to calculate the properties of hard spheres or Lennard-Jones particles in planar geometry i.e. near an infinite hard or soft wall.
☆17Feb 6, 2025Updated last year
Alternatives and similar repositories for DFT
Users that are interested in DFT are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A python package for classical Density Functional Theory (cDFT). This package allows you to find the equilibrium density profile of an in…☆28Jan 5, 2022Updated 4 years ago
- classical density-functional theory☆32Jul 26, 2022Updated 3 years ago
- ☆10Oct 14, 2025Updated 5 months ago
- ☆13Feb 8, 2022Updated 4 years ago
- ☆44Dec 10, 2025Updated 3 months ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- An python script implementation to solve classical Density Functional Theory for Lennard-Jones fluids on 1D and 3D geometries☆25Oct 4, 2024Updated last year
- Data relevant to the article "Machine learning determination of atomic dynamics at grain boundaries" https://arxiv.org/abs/1803.01416☆11Oct 2, 2018Updated 7 years ago
- PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…☆58Dec 29, 2023Updated 2 years ago
- Gromacs Implementation of OPLS-AAM Force field☆15Aug 5, 2018Updated 7 years ago
- Amateurish molecular electronic structure program.(for linux)☆23Nov 1, 2016Updated 9 years ago
- Python tools for mean-field Hubbard models☆26Mar 7, 2026Updated 2 weeks ago
- Gromacs to Lammps simulation converter☆92Dec 9, 2023Updated 2 years ago
- Embedding module for VASP and tools for its use.☆10Feb 20, 2025Updated last year
- GPU Accelerated 3D Cell Simulator☆12Feb 14, 2026Updated last month
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- A generic and fast solver of mode-coupling theory-like integrodifferential equations☆21Oct 10, 2025Updated 5 months ago
- A universal file format for gas adsorption experiments☆22Mar 16, 2026Updated last week
- ☆31May 27, 2020Updated 5 years ago
- Python script for calculating vibrational density of states (DOS) from LAMMPS dump file☆19Aug 19, 2024Updated last year
- Postprocessing of Lammps outfile to analyze ReaxFF dyanamics data☆13Apr 27, 2019Updated 6 years ago
- Gromacs topology template generator☆15Jul 15, 2021Updated 4 years ago
- Jupyter Notebooks of Leonard Susskind's Statistical Mechanics lectures☆17Oct 31, 2018Updated 7 years ago
- python functions to calculate l-curve parameter☆11Feb 10, 2020Updated 6 years ago
- Build atomistic structures of carbon nanotubes with the possibility to add functional groups (OH, COOH, COO-) and assigns generalized Amb…☆24Jan 27, 2020Updated 6 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- ☆14Jul 7, 2025Updated 8 months ago
- A Python module intended to make cell segmentation, tracking and subsequent (mostly biophysical) statisticial analysis easy☆17Apr 23, 2025Updated 11 months ago
- This a toolkit repository to read, and analysis ab initio molecular dynamics simulations☆11Apr 11, 2021Updated 4 years ago
- Poreblazer is a set of Fortran 90 tools for structural characterization of porous materials.☆13Feb 28, 2018Updated 8 years ago
- python binding of pfft☆17Jun 24, 2025Updated 9 months ago
- Dump a quantum circuit in Yao to a tensor network graphical model☆11Dec 11, 2020Updated 5 years ago
- The Density Functional Theory for Electrolyte Solutions☆10Sep 13, 2022Updated 3 years ago
- USER-MESO package for LAMMPS☆13Oct 9, 2016Updated 9 years ago
- Neural functional theory for inhomogeneous fluids - Tutorial☆15May 20, 2025Updated 10 months ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Utilities for molecular volume calculation☆11Jun 4, 2018Updated 7 years ago
- AiiDA plugin of the high-performance density functional theory code JuKKR (www.judft.de) for high-throughput electronic structure calcula…☆16Sep 1, 2025Updated 6 months ago
- A framework for processing adsorption data and isotherm fitting☆87Mar 19, 2026Updated last week
- A little book on General Relativity and Einstein–Cartan Theory☆15Mar 13, 2014Updated 12 years ago
- ☆11Jan 6, 2016Updated 10 years ago
- Victory is an efficient implantation of the Parquet equation for the single-band Hubbard model.☆14Aug 30, 2020Updated 5 years ago
- A minimalistic atomic Density Functional Theory (DFT) code☆147Mar 16, 2026Updated last week