Alternatives and similar repositories for mdapy:

Users that are interested in mdapy are comparing it to the libraries listed below

• spparks / spparks
  SPPARKS Kinetic and Metropolis Monte Carlo simulator
  ☆67Updated 2 months ago
• oekosheri / GB_code
  A grain boundary generation code
  ☆64Updated last year
• ksyang2013 / aimsgb
  Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)
  ☆61Updated last year
• dwsideriusNIST / LAMMPS_Examples
  Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models
  ☆81Updated 3 years ago
• EfremBraun / calc-ir-spectra-from-lammps
  This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.
  ☆51Updated 6 years ago
• simongravelle / python-for-lammps
  Python scripts for dealing with molecular dynamics script for LAMMPS
  ☆17Updated 2 years ago
• nuwan-d / LAMMPS_tutorials_for_short_courses
  Required LAMMPS and MATLAB files for several molecular dynamics simulations.
  ☆40Updated 3 years ago
• zhongliliu / elastool
  A toolkit for automatic calculation and analysis of elastic constants
  ☆49Updated last year
• vasp-dev / py4vasp
  Python interface for VASP
  ☆81Updated this week
• freitas-rodrigo / FreeEnergyLAMMPS
  Examples demonstrating how to reproduce the results in the paper.
  ☆54Updated 4 months ago
• rohskopf / modecode
  Massively parallel vibrational mode calculator.
  ☆23Updated 7 months ago
• nuwan-d / graphene_tensile_test
  LAMMPS scripts to simulate uniaxial tensile test of a graphene Sample
  ☆30Updated 4 years ago
• Asif-Iqbal-Bhatti / High-Entropy-Alloys
  Generate random alloys and compute various properties
  ☆53Updated 4 months ago
• sissaschool / sportran
  A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…
  ☆41Updated 3 months ago
• Tingliangstu / Lammps_tools
  Some scripting tools used for lammps input or output
  ☆58Updated 2 years ago
• fermisurfaces / IFermi
  Fermi surface generation, analysis and visualisation.
  ☆94Updated this week
• lammpstutorials / lammpstutorials.github.io
  LAMMPS tutorials for both beginners and advanced users
  ☆110Updated this week
• Shiliang2333 / PotentialForHEA
  收集和整理适用于高熵合金分子动力学模拟的势函数。A set of interatomic potentials suitable for molecular dynamics simulations of high entropy alloys.
  ☆21Updated last month
• USCCACS / ThermalTools
  LAMMPS plugins for thermal conductivity and density of states calculation
  ☆46Updated 6 years ago
• jochym / Elastic
  A module for ASE for elastic constants calculation.
  ☆41Updated 2 months ago
• nakib / elphbolt
  A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.
  ☆48Updated 3 weeks ago
• materialsvirtuallab / snap
  Repository for spectral neighbor analysis potential (SNAP) model development.
  ☆37Updated 4 years ago
• plrodolfo / FluidFreeEnergyforLAMMPS
  Fluid-phase Free-energy Calculation package for LAMMPS
  ☆26Updated 3 years ago
• Atomistica / atomistica
  Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS
  ☆85Updated 11 months ago
• by-student-2017 / lammps_education_reaxff_win
  ☆37Updated last month
• JeroenMulkers / lammps_graphene
  Lammps tutorial: graphene simulations
  ☆31Updated 4 years ago
• abelcarreras / DynaPhoPy
  Phonon anharmonicity analysis from molecular dynamics
  ☆122Updated 4 months ago
• henriasv / lammps-logfile
  Tool to read a logfile produced by LAMMPS into a simple python data structure with a get()-function providing the log data.
  ☆58Updated 2 weeks ago
• bjmorgan / kinisi
  A Python package for estimating diffusion properties from molecular dynamics simulations.
  ☆65Updated last week
• nuwan-d / polymer_metal_interface
  Provides some useful information and the LAMMPS input files to model a polymer-metal interface.
  ☆37Updated 3 years ago