Allen-Tildesley / examplesLinks
Fortran and Python examples to accompany the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edition, Oxford University Press, 2017). Use the "Code" button, or follow the "Releases" link below.
☆323Updated 3 months ago
Alternatives and similar repositories for examples
Users that are interested in examples are comparing it to the libraries listed below
Sorting:
- A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies☆299Updated last month
- DFTB+ general package for performing fast atomistic simulations☆385Updated 2 weeks ago
- i-PI: a universal force engine☆269Updated 2 weeks ago
- n2p2 - A Neural Network Potential Package☆239Updated 6 months ago
- Packmol - Initial configurations for molecular dynamics simulations☆299Updated 3 weeks ago
- Materials science with Python at the atomic-scale☆217Updated this week
- Software for generating machine-learning interatomic potentials for LAMMPS☆176Updated 2 weeks ago
- LAMMPS tutorials for both beginners and advanced users☆121Updated last week
- libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io☆367Updated 4 months ago
- 1D density functional theory code in Python☆135Updated 2 years ago
- A repository for quantum chemistry basis sets☆183Updated last month
- A minimalistic atomic Density Functional Theory (DFT) code☆139Updated this week
- LAMMPS inputs and data files☆269Updated 11 months ago
- LAMMPS input from lammpstutorials.github.io☆52Updated last month
- Generally Applicable Atomic-Charge Dependent London Dispersion Correction☆195Updated last month
- Atomsk: A Tool For Manipulating And Converting Atomic Data Files -☆230Updated 2 weeks ago
- Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models☆87Updated 3 years ago
- A code to generate atomic structure with symmetry☆335Updated last month
- LAMMPS tutorials for Beginners☆406Updated 2 years ago
- This is a simple script to plot energy profile diagrams using Python and matplotlib.☆174Updated last month
- A swiss army knife to generate proton-disordered ice structures.☆78Updated last week
- A Python package for manipulating atomistic data of software in computational science☆218Updated this week
- Atomic interaction potentials based on artificial neural networks☆119Updated 3 weeks ago
- Combining Psi4 and Numpy for education and development.☆376Updated last year
- Tool to read a logfile produced by LAMMPS into a simple python data structure with a get()-function providing the log data.☆63Updated 5 months ago
- Pizza.py is a loosely integrated collection of tools written in Python, many of which provide pre- and post-processing capability for th…☆67Updated 4 years ago
- Tool to build force field input files for molecular simulation☆179Updated 6 months ago
- The official github mirror of the Abinit repository. We welcome bug fixes and improvements. Note that most of the active developments are…☆238Updated last week
- Molecular dynamics and Monte Carlo soft matter simulation on GPUs.☆391Updated this week
- C library for finding and handling crystal symmetries☆332Updated last week