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lennard-jones

Here are 8 public repositories matching this topic...

frydaddy07 / STICS-Portfolio

A portfolio of the work done during COMP 260 during S17 at Wesleyan University

markov-model clustering protein-structure markov-chain curve fitting curve-fitting force-field rna-sequencing fitting-algorithm kmeans-clustering lennard-jones cpg-islands protein-lattice

Updated May 16, 2017
Python

LalitPatidar / transpy

Python code to generate Lennard-Jones parameters for combustion and detonation modeling

combustion transport-properties lennard-jones

Updated Oct 17, 2018
Python

gbpot

oiao / gbpot

Python implementation of the anisotropic Gay-Berne potential

molecular-dynamics anisotropy lennard-jones potentials liquid-crystals gay-berne

Updated Aug 5, 2020
Python

tillsiebenmorgen / RS-REMD_tutorial

This is a tutorial to perform the lennard-jones parameter scaling for rs-remd (repulsive scaling remd) simulations for the amber package.

python tutorial energy simulation binding dynamics free scaling of molecular amber lennard-jones repulsive rs-remd

Updated Apr 10, 2021
Python

vtlim / plot_potential

Plot individual potential functions that comprise force fields. Ideal for presentations. Includes energy terms for bonds (harmonic), angles (harmonic), proper torsion (periodic cosine), improper torsion (harmonic), van der Waals (Lennard-Jones), electrostatics (Coulomb), and the Morse potential.

molecular-dynamics computational-chemistry morse molecular-simulation potential matplotlib coulomb-interactions harmonic cosine presentation-materials forcefield lennard-jones molecular-modeling vdw energy-functions

Updated May 5, 2021
Python

ethashamahmed / molecular-dynamics-LJ

A molecular dynamics project based on the Lennard-Jones potential

python physics molecular-dynamics computational-physics molecular-dynamics-simulation physics-simulation lennard-jones

Updated Oct 27, 2022
Python

r-aristov / simba-ps

Fast deterministic all-Python Lennard-Jones particle simulator that utilizes Numba for GPU-accelerated computation.

simulation physics cuda pygame particles numba lennard-jones gpu-programming

Updated Jul 15, 2023
Python

JS-Koning / compphys_project_1

First joint project in Python using Git. Molecular dynamic simulation of Argon atoms.

python physics molecular-dynamics lennard-jones

Updated Jul 22, 2023
Python

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