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

  molecule-builderlammpsmolecular-dynamicsforce-fieldscoarse-grained-molecular-dynamicsmolecule-editoroplsamberopen-sciencelammps-datalammps-toollammps-script-creator
  Language:Python 262

• lammpstutorials / lammpstutorials-inputs

  LAMMPS input from lammpstutorials.github.io

  lammpslammps-datalammps-inputlammps-scriptlammps-tutorialspythonpython-scriptvmd
  Language:Jupyter Notebook 29

• kevinshen56714 / emc-pypi

  Python interface for Enhanced Monte Carlo (EMC)

  lammpslammps-datalammps-python-interfacemolecular-dynamicsmolecular-dynamics-simulationmonte-carlosmiles-strings
  Language:Perl 18

• chiang-yuan / csh4lmp

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

  lammps-datamolecular-dynamicscpluspluscomputational-modeling
  Language:C++ 16

• simongravelle / atb2lammps

  Convert files from the ATB repository to LAMMPS format

  lammpsmoleculeatbconverterpythoninputmolecule-filelammps-datalammps-inputlammps-scriptsimulation
  Language:Python 16

• 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.

  lammpslammps-datapolymer-brushesmolecular-dynamics
  Language:Python 12

• Tristan-O / ArbitraryMoleculesForLAMMPS

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

  polymeratomlammpspolymer-structurelammps-dataloopring-polymerplotmonomechain
  Language:Python 4

• Compizfox / MDBrushGenerators

  Scripts for generating LAMMPS initial data files comprising polymer brush systems

  molecular-dynamicslammpslammps-datapolymer-brushes
  Language:Python 3

• kishantchem / modify_lammps_data

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

  lammps-datalammps
  Language:Python 3

• minu928 / mdbrew

  Post Processing of LAMMPS File

  lammpslammps-datapython
  Language:Python 2
• vmdAssist

  n-malih / vmdAssist

  vmdAssist is a VMD extension with tools that help us edit or create new structures like nanotube and nanotorus.

  lammps-datamolecular-dynamicsvmdvmd-pluginvmdassist
  Language:Tcl 2

• 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.

  lammpslammps-datamaterials-sciencepymatgenslabssurfaces
  Language:Python 2

• kamaltripathi / LAMMPS-toolbox

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

  lammpslammps-toolboxlammps-datapolymerplots
  Language:Jupyter Notebook 0

• 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

  lammps-datainteratomic-potentials
  Language:Shell 0

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

  lammps-datamolecular-dynamics-simulationtrajectory-data

• polyu-kyfung / lammps-nanocutting-SiC_results_defect-free-tool_speed-1.0_BrennerScr_lmp20161117

  lammps-datamolecular-dynamics-simulationtrajectory-data

• polyu-kyfung / lammps-nanocutting-SiC_results_defect-free-tool_speed-3.0_BrennerScr_lmp20161117--2x-thick

  lammps-datamolecular-dynamics-simulationtrajectory-data

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

  lammps-datalammps-inputmolecular-dynamics-simulationtrajectory-data

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

  lammps-datamolecular-dynamics-simulationtrajectory-data
  Language:Shell

• 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.

  lammps-datamolecular-dynamics-simulationtrajectory-data

• 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.

  lammps-datamolecular-dynamics-simulationtrajectory-data

• 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]

  lammps-datalammps-scriptmolecular-dynamics-simulation
  Language:Shell