lammps-data
There are 21 repositories under lammps-data topic.
jewettaij/moltemplate
A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies
lammpstutorials/lammpstutorials-inputs
LAMMPS input from lammpstutorials.github.io
kevinshen56714/emc-pypi
Python interface for Enhanced Monte Carlo (EMC)
simongravelle/atb2lammps
Convert files from the ATB repository to LAMMPS format
chiang-yuan/csh4lmp
The computational modeling tool for custom atomistic model of calcium-silicate-hydrates (C-S-H)
Compizfox/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.
Compizfox/MDBrushGenerators
Scripts for generating LAMMPS initial data files comprising polymer brush systems
Tristan-O/ArbitraryMoleculesForLAMMPS
Object-Oriented Script to aid in creating LAMMPS data files.
kishantchem/modify_lammps_data
Deleting bonds, angles dihedrals and arranging it to create new lammps data file
n-malih/vmdAssist
vmdAssist is a VMD extension with tools that help us edit or create new structures like nanotube and nanotorus.
TugayGul/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.
polyu-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
kamaltripathi/LAMMPS-toolbox
This repository contains a bunch of python scripts which are used in pre- and post processing of LAMMPS simulations.
polyu-kyfung/lammps-nanocutting-SiC_results_defect-free-tool_speed-1.0_BrennerScr_lmp20161117
[S01] 1.0x100 no groove | BrennerScr potential trial
polyu-kyfung/x-lammps-nanocutting-SiC_results_1-by-1-v-groove-defect-tool_speed-3.0_eq2_EA.tersoff_lmp20140808
Note: This model is incorrect or does not function as intended 🆖. This repository contains LAMMPS simulation results for the molecular dynamics simulation of nanometric cutting of 3C-SiC against a diamond tool with a v-groove surface defect in 1-by-1 cell units at the speed of 300 m s^-1.
polyu-kyfung/x-lammps-nanocutting-SiC_results_6-by-3-v-groove-defect-tool_speed-2.0_eq2_EA.tersoff_lmp20140312
Note: This model is incorrect or does not function as intended 🆖. This repository contains LAMMPS simulation results for the molecular dynamics simulation of nanometric cutting of 3C-SiC against a diamond tool with a v-groove surface defect in 6-by-3 cell units at the speed of 200 m s^-1.
polyu-kyfung/lammps-nanocutting-SiC_results_6-by-6-v-groove-defect-tool_speed-1.0_BrennerScr_lmp20161117
[S02] 1.0x100 groove ( depth 6, tan 1) | BrennerScr potential trial
polyu-kyfung/lammps-nanocutting-SiC_results_defect-free-tool_speed-3.0_BrennerScr_lmp20161117--2x-thick
[S06] 3.0x100 no groove (2x thick workpiece) | BrennerScr potential trial
polyu-kyfung/lammps-nanocutting-SiC_template_smooth-v-groove-defect-tool_EA.tersoff_lmp20161117
[U22]-[U24] Template for smooth v-groove defect tools
polyu-kyfung/x-lammps-nanocutting-SiC_results_tool-xLr15c10-x101y010_speed-3.0_EA.tersoff_lmp20140808
Note: This model is incorrect or does not function as intended 🆖. A molecular dynamics (MD) simulation of the nanometric cutting process of 3C-SiC using a diamond tool, with crystallographic orientations x[101] and y[010]