lorenzo-rovigatti / PatchyParticlesLinks
A tutorial code to perform Monte Carlo simulations of patchy particles
☆12Updated 7 months ago
Alternatives and similar repositories for PatchyParticles
Users that are interested in PatchyParticles are comparing it to the libraries listed below
Sorting:
- 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
- Learning how to code a package for solving simple Hartree-Fock electronic structure calculations.☆20Updated 4 years ago
- A generic and fast solver of mode-coupling theory-like integrodifferential equations☆18Updated 2 months ago
- Computational Statistical Mechanics Tutorials☆14Updated 12 years ago
- Draft for my book about implementing density functional theory☆19Updated 2 months ago
- Package to handle integrals over Gaussian-type atomic orbitals.☆29Updated 2 months ago
- Julia Bindings for Atomic Simulation Environment☆37Updated 4 years ago
- A mathematical look on density-functional theory and DFTK☆34Updated 3 years ago
- Fast and flexible nonadiabatic molecular dynamics in Julia!☆63Updated this week
- Extended XYZ read/write support for Julia☆16Updated 6 months ago
- Accurate and fast tight-binding calculations, using pre-fit coefficients and three-body terms.☆27Updated last week
- Contains Jupyter notebooks and other materials prepared for the course Numerical Methods offered at TIFR Hyderabad (https://moldis-group.…☆12Updated 2 years ago
- This is a collection of answers to a SM book written by R. K. Pathria & Paul D. Beale. Lecture notes can be added too.☆35Updated 6 years ago
- Computational Chemistry☆19Updated 5 years ago
- MultiResolution Chemistry☆33Updated last month
- A research-grade quantum chemistry program written in Julia☆66Updated 4 years ago
- Density Functional Theory in real space, for atoms, LDA and LSDA☆30Updated last year
- Program for simulating time evolution in quantum systems using the MCTDHF method.☆16Updated 7 years ago
- Material for the RWTH Julia workshop on 17th and 18th February 2022☆22Updated 2 years ago
- davidson iterative diagonalizer☆12Updated 3 years ago
- A step-by-step tutorial to code the McMurchie-Davidson scheme to compute molecular integrals☆10Updated 3 years ago
- Exploring the computational power of fermionic quantum systems. Ab initio computation and basis set optimization for electronic structure…☆34Updated this week
- Electrochemical reaction rate modeling and nonequilibrium phase maps (via AD)☆22Updated last year
- Mathematica modules for electronic structure calculations☆29Updated last year
- Code generator for simint vectorized integrals☆28Updated 2 years ago
- Computational Chemistry Input Generator☆46Updated 6 months ago
- Ewald summation program for computing the long range Coulomb interactions in 3D Periodic systems☆17Updated 7 years ago
- A modular electronic structure theory code☆21Updated 6 years ago
- A julia package for the manipulation of crystal net representations and topology☆44Updated last month
- Crawford's Quantum Chemistry Exercises by Python approach☆30Updated 2 years ago