lorenzo-rovigatti / PatchyParticles
A tutorial code to perform Monte Carlo simulations of patchy particles
☆11Updated 4 months ago
Alternatives and similar repositories for PatchyParticles:
Users that are interested in PatchyParticles are comparing it to the libraries listed below
- Corrections to the text of the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edition, Oxford Un…☆31Updated 2 years ago
- Computational Statistical Mechanics Tutorials☆14Updated 12 years ago
- Learning how to code a package for solving simple Hartree-Fock electronic structure calculations.☆20Updated 4 years ago
- ☆8Updated last year
- Computational Chemistry Input Generator☆43Updated 4 months ago
- An interactive structure viewer alongside its simulated diffraction pattern☆18Updated 3 weeks 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
- Atoms-in-molecules density partitioning schemes based on stockholder recipe☆22Updated last week
- Huxel: Huckel model + JAX (parameter optimization)☆10Updated 2 years ago
- N-Dimensional MD engine with symmetry group constraints written in C☆47Updated 8 months ago
- ☆23Updated last year
- A simple Lennard-Jones molecular dynamics software☆25Updated 8 months ago
- Density Functional Theory in real space, for atoms, LDA and LSDA☆28Updated last year
- Ewald summation program for computing the long range Coulomb interactions in 3D Periodic systems☆17Updated 7 years ago
- Geometrical Counter-Poise Correction☆11Updated 4 months ago
- Electronegativity equilibration model for atomic partial charges☆15Updated last week
- Solvent accessible surface area calculation☆17Updated 2 weeks ago
- Package to perform minimum-distance distribution analyses of complex solute-solvent interactions☆17Updated 3 weeks ago
- PyTorch Autodiff DFT-D4 Implementation.☆19Updated this week
- A modular electronic structure theory code☆21Updated 6 years ago
- MultiResolution Chemistry☆31Updated last week
- The future of Packmol☆30Updated last week
- ☆31Updated 4 years ago
- MDToolbox.jl: A Julia package for molecular dynamics trajectories analysis and modeling of biomolecules☆21Updated last week
- Flexible Library of Organic Workflows and Extensible Recipes for Molecular Dynamics.☆15Updated this week
- Open Source Exascale Computational Chemistry Software☆25Updated 2 months ago
- A generic and fast solver of mode-coupling theory-like integrodifferential equations☆17Updated 5 months ago
- MoleView: A Fast and lightweight plug-in for 3D molecular visualization☆29Updated last month
- Benchmark CPUs and GPUs by running molecular dynamics simulations in LAMMPS☆11Updated 2 years ago
- Python code for Hückel and Pariser-Parr-Pople molecular orbital theory☆15Updated last year