lammps-data
There are 1 repository under lammps-data topic.
jewettaij / moltemplate
A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies
Language:Python 240simongravelle / atb2lammps
Convert files from the ATB repository to LAMMPS format
Language:Python 13chiang-yuan / csh4lmp
The computational modeling tool for custom atomistic model of calcium-silicate-hydrates (C-S-H)
Language:C++ 11kevinshen56714 / emc-pypi
Python interface for Enhanced Monte Carlo (EMC)
Language:Perl 11Compizfox / MDBrushAnalysis
Library of Python classes for parsing LAMMPS density profiles and data files, and specifically for post-processing of MD simulations of polymer brushes in equilibrium with solvent vapours.
Language:Python 10lammpstutorials / old-lammps-inputs
LAMMPS tutorials for both beginners and advanced users
Language:Jupyter Notebook 7LAMMPS input from lammpstutorials.github.io
Language:Jupyter Notebook 6Tristan-O / ArbitraryMoleculesForLAMMPS
Object-Oriented Script to aid in creating LAMMPS data files.
Language:Python 4- Language:Python 3
Scripts for generating LAMMPS initial data files comprising polymer brush systems
Language:Python 2Modern, fast, python framework for building LAMMPS input and data files for predicting polymer properties
Language:Python 2TugayGul / WCLDA
Creating slabs from defined surface of any element and adding adsorbates by using Pymatgen. Output file is in the format for LAMMPS data file.
Language:Python 2kishantchem / modify_lammps_data
Deleting bonds, angles dihedrals and arranging it to create new lammps data file
Language:Python 1kamaltripathi / LAMMPS-toolbox
This repository contains a bunch of python scripts which are used in pre- and post processing of LAMMPS simulations.
Language:Jupyter Notebook 0polyu-kyfung / lammps-lattice-constants-of-diamond-to-3C-SiC
Molecular dynamics simulations to find the lattice parameters of diamond and 3C-SiC lattices at the equilibrium with different interatomic potentials available in LAMMPS
Language:Shell 0- 0
