wesbarnett / lennardjones
Lennard Jones Molecular Dynamics in C++
☆14Updated 8 years ago
Alternatives and similar repositories for lennardjones:
Users that are interested in lennardjones are comparing it to the libraries listed below
- MGmol is a scalable O(N) First-Principles Molecular Dynamics code that is capable of performing large-scale electronics structure calcula…☆43Updated this week
- ScaFaCoS library for Fast Coulomb Solvers☆29Updated last month
- MultiResolution Chemistry☆31Updated 2 weeks ago
- A tool for performing post-processing of lammps log files☆13Updated 3 years ago
- Monte Carlo and Molecular Dynamics Simulation Package☆84Updated 8 months ago
- GW-BSE for excited state Quantum Chemistry in a Gaussian Orbital basis, electronic spectroscopy with QM/MM, charge and energy dynamics in…☆29Updated 3 years ago
- Kinetic Monte Carlo Simulator☆30Updated 4 years ago
- LAMMPS configuration files☆13Updated 8 years ago
- ☆11Updated last month
- Main ESPResSo++ repository☆44Updated 3 months ago
- Developer repository for the LATTE code☆41Updated last week
- Topological Analysis for Molecular Systems☆17Updated 6 years ago
- C++ Chemical Kinetics, Thermodynaimics, and Transport Library☆24Updated 2 years ago
- 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
- A generic implementation of tensor einsum in Fortran.☆27Updated 4 years ago
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆41Updated 2 weeks ago
- A Python package for multipole expansions of electrostatic or gravitational potentials☆43Updated 3 months ago
- Qball (also known as qb@ll) is a first-principles molecular dynamics code that is used to compute the electronic structure of atoms, mole…☆45Updated last year
- Resources for teaching quantum chemistry courses in Bonn☆36Updated this week
- ☆42Updated 5 months ago
- A simple and fast python library to handle the data generated from molecular dynamics simulations☆72Updated 2 months ago
- Library for Green’s function based electronic structure theory calculations☆23Updated last week
- Open-source implementation of PC-SAFT equation of state☆12Updated 2 years ago
- Lammps tutorial: graphene simulations☆31Updated 4 years ago
- Fitting thermodynamic models with pycalphad - https://doi.org/10.1557/mrc.2019.59☆70Updated 3 weeks ago
- Input files and results of paper: Phase equilibrium of liquid water and hexagonal from ice enhanced sampling molecular dynamics simulatio…☆10Updated 3 years ago
- OpenIEC: An open-source code for interfacial energy calculation in alloys☆32Updated last year
- Density Functional Theory in real space, for atoms, LDA and LSDA☆28Updated last year
- Python bindings to the voro++ library.☆36Updated 2 years ago
- Sassena — X-ray and neutron scattering calculated from molecular dynamics trajectories using massively parallel computers☆15Updated 8 years ago