Molecular Dynamics Simulation for Polymer knots in LAMMPS
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Updated
Nov 14, 2022 - Python
Molecular Dynamics Simulation for Polymer knots in LAMMPS
Configuration-driven Python wrapper around LAMMPS for more convenient batch submission of simulation jobs
Determine the topology violation in coarse-grained polymer simulation.
A user-friendly Python package to manipulate input and output files of LAMMPS molecular dynamics code. One Python class per LAMMPS file type. Include conversion into pandas DataFrame.
A Python library for the easy implementation of atomistic Monte Carlo algorithms for simulations with LAMMPS.
SEAMM step for calculating thermal conductivity
A modified version of phonolammps for my personal use.
Interface for on-the-fly training of Machine Learning Interaction Potentials
FabMD is a FabSim3 plugin for automated LAMMPS-based simulations.
Deleting bonds, angles dihedrals and arranging it to create new lammps data file
Generate, naively, an atomic polycrystalline sample.
Offline documentation for LAMMPS
A tool to run simulations of molecular assemblies created by CellPACK using moltemplate and LAMMPS
Bokeh dashboard to visualize LAMMPS trajectory files
cae azure cyclecloud QE MD
Python tool to write Lammps input file based on template and parameters file.
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