lammpstutorials/lammpstutorials-inputs

LAMMPS input from lammpstutorials.github.io

Language: Jupyter Notebook - Size: 199 MB - Last synced at: 22 days ago - Pushed at: 22 days ago - Stars: 40 - Forks: 4

simongravelle/atb2lammps

Convert files from the ATB repository to LAMMPS format

Language: Python - Size: 21.2 MB - Last synced at: 8 days ago - Pushed at: 6 months ago - Stars: 19 - Forks: 5

chiang-yuan/csh4lmp

The computational modeling tool for custom atomistic model of calcium-silicate-hydrates (C-S-H)

Language: C++ - Size: 33.2 MB - Last synced at: 21 days ago - Pushed at: almost 2 years ago - Stars: 18 - Forks: 7

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

Size: 1.53 GB - Last synced at: 4 months ago - Pushed at: 4 months ago - Stars: 0 - Forks: 0

polyu-kyfung/lammps-nanocutting-SiC_results_speed-1.0_EA.tersoff_lmp20140312

Size: 3.63 GB - Last synced at: 4 months ago - Pushed at: 4 months ago - Stars: 0 - Forks: 0

polyu-kyfung/lammps-nanocutting-SiC_results_6-by-6-v-groove-defect-tool_speed-1.0_BrennerScr_lmp20161117

Size: 1.39 GB - Last synced at: 4 months ago - Pushed at: 4 months ago - Stars: 0 - Forks: 0

polyu-kyfung/lammps-nanocutting-SiC_template_smooth-v-groove-defect-tool_EA.tersoff_lmp20161117

Language: Shell - Size: 1.48 GB - Last synced at: 4 months ago - Pushed at: 4 months ago - Stars: 0 - Forks: 0

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]

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Tristan-O/ArbitraryMoleculesForLAMMPS

Object-Oriented Script to aid in creating LAMMPS data files.

Language: Python - Size: 224 KB - Last synced at: 8 months ago - Pushed at: about 6 years ago - Stars: 4 - Forks: 0

jewettaij/moltemplate

A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies

Language: Python - Size: 20 MB - Last synced at: 9 months ago - Pushed at: 9 months ago - Stars: 248 - Forks: 97

kevinshen56714/emc-pypi

Python interface for Enhanced Monte Carlo (EMC)

Language: Perl - Size: 21.3 MB - Last synced at: about 1 year ago - Pushed at: about 1 year ago - Stars: 11 - Forks: 1

kishantchem/modify_lammps_data

Deleting bonds, angles dihedrals and arranging it to create new lammps data file

Language: Python - Size: 34.2 KB - Last synced at: 10 months ago - Pushed at: almost 5 years ago - Stars: 1 - Forks: 0

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.

Language: Python - Size: 8.79 KB - Last synced at: about 1 year ago - Pushed at: over 2 years ago - Stars: 2 - Forks: 0

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.

Language: Python - Size: 95.7 KB - Last synced at: about 1 year ago - Pushed at: about 1 year ago - Stars: 10 - Forks: 4

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

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Compizfox/MDBrushGenerators

Scripts for generating LAMMPS initial data files comprising polymer brush systems

Language: Python - Size: 126 KB - Last synced at: about 1 year ago - Pushed at: about 1 year ago - Stars: 2 - Forks: 2

kamaltripathi/LAMMPS-toolbox

This repository contains a bunch of python scripts which are used in pre- and post processing of LAMMPS simulations.

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