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
Sorting:
- ☆10Oct 14, 2025Updated 4 months ago
- 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
- ☆13Feb 8, 2022Updated 4 years ago
- Gromacs Implementation of OPLS-AAM Force field☆15Aug 5, 2018Updated 7 years ago
- A generic and fast solver of mode-coupling theory-like integrodifferential equations☆21Oct 10, 2025Updated 4 months 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
- Python tools for mean-field Hubbard models☆26Dec 5, 2025Updated 2 months ago
- Gromacs topology template generator☆15Jul 15, 2021Updated 4 years ago
- ☆44Dec 10, 2025Updated 2 months ago
- Gromacs to Lammps simulation converter☆90Dec 9, 2023Updated 2 years ago
- Amateurish molecular electronic structure program.(for linux)☆23Nov 1, 2016Updated 9 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
- 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
- ☆30May 27, 2020Updated 5 years ago
- The Density Functional Theory for Electrolyte Solutions☆10Sep 13, 2022Updated 3 years ago
- Package to run atomic / molecular Monte Carlo simulations☆21Feb 17, 2026Updated last week
- Exact diagonalization of Fermi-Hubbard and spin models on a lattice☆11Apr 17, 2024Updated last year
- A little book on General Relativity and Einstein–Cartan Theory☆16Mar 13, 2014Updated 11 years ago
- This is a mirror, please report bugs to☆11Updated this week
- Victory is an efficient implantation of the Parquet equation for the single-band Hubbard model.☆14Aug 30, 2020Updated 5 years ago
- This is a C version of the SCF code found in Appendix B of Modern Quantum Chemistry, An Introduction to Electronic Structure Theory by A.…☆10Jan 1, 2019Updated 7 years ago
- Brent's code for FTIR deconvolution☆12Dec 17, 2020Updated 5 years ago
- Embedding module for VASP and tools for its use.☆10Feb 20, 2025Updated last year
- ☆29Jan 15, 2026Updated last month
- ☆11Feb 18, 2023Updated 3 years ago
- A very simple quantum chemistry program☆10Jan 4, 2019Updated 7 years ago
- Multidimensional arrays for C++. (Not an official Boost library) \\ This is a mirror of gitlab.com/correaa/boost-multi☆13Updated this week
- A program to convert and process Jasco SpectraManager (JWS) files.☆16Aug 8, 2015Updated 10 years ago
- Dump a quantum circuit in Yao to a tensor network graphical model☆11Dec 11, 2020Updated 5 years ago
- Lecture notes on Quantum Chaos (NJSF031)☆12Apr 25, 2025Updated 10 months ago
- Graphical User Interface simulation software for 3D optical lattices formed by mutual interaction between atomic internal structure and e…☆12Jun 23, 2016Updated 9 years ago
- 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
- pornhub视频爬虫和pornhub视频下载url爬虫☆15Feb 5, 2018Updated 8 years ago
- Library of Python classes for parsing LAMMPS density profiles and data files, and specifically for post-processing of MD simulations of p…☆13Feb 26, 2024Updated 2 years ago
- ☆19Jun 27, 2013Updated 12 years ago
- This a toolkit repository to read, and analysis ab initio molecular dynamics simulations☆11Apr 11, 2021Updated 4 years ago
- The Expanded Package for IET Solvation☆13Feb 6, 2025Updated last year
- A dissipative particle dynamics (DPD) project.☆13Aug 16, 2023Updated 2 years ago