Alternatives and similar repositories for lammpstutorials-article

Users that are interested in lammpstutorials-article are comparing it to the libraries listed below

• kinisi-dev / kinisi
  A Python package for estimating diffusion properties from molecular dynamics simulations.
  ☆76Updated this week
• zadorlab / pynta
  Pynta - an automated workflow for reaction path exploration on metallic surfaces
  ☆40Updated this week
• velocirobbie / make-graphitics
  ☆45Updated 5 years ago
• omoultosEthTuDelft / OCTP
  On-the-fly calculation of Transport Properties
  ☆27Updated 2 years ago
• CMMRLab / LUNAR
  ☆50Updated this week
• EfremBraun / calc-ir-spectra-from-lammps
  This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.
  ☆53Updated 7 years ago
• ulissigroup / vasp-interactive
  ☆72Updated 2 years ago
• kdfong / transport-coefficients-MSD
  Code to compute Onsager transport coefficients from molecular dynamics simulations using mean-square displacements.
  ☆29Updated 4 years ago
• sissaschool / sportran
  A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…
  ☆43Updated 3 months ago
• zishengz / gocia
  Global Optimizer for Clusters, Interfaces, and Adsorbates
  ☆31Updated last week
• simongravelle / DOS-VACF-LAMMPS
  Python script for calculating vibrational density of states (DOS) from LAMMPS dump file
  ☆19Updated last year
• paesanilab / MBX
  MBX is an energy and force calculator for data-driven many-body simulations.
  ☆44Updated this week
• dskoda / quests
  Quick Uncertainty and Entropy via STructural Similarity
  ☆54Updated this week
• andreagrisafi / SALTED
  Symmetry-Adapted Learning of Three-dimensional Electron Densities (and their electrostatic response)
  ☆40Updated last month
• ICAMS / calphy
  A Python library and command line interface for automated free energy calculations
  ☆86Updated last week
• MDIL-SNU / SIMPLE-NN
  SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)
  ☆48Updated 3 years ago
• MarsalekGroup / aml
  A... M... L...
  ☆53Updated 3 years ago
• enze-chen / grip
  Grand canonical optimization of grain boundary phases.
  ☆30Updated 7 months ago
• i-pi / tutorials-schools
  ☆19Updated 4 years ago
• libAtoms / GAP
  ☆44Updated 2 months ago
• FedeDat / VASP-tutorial
  Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…
  ☆30Updated 3 years ago
• omidshy / analyze-md
  A collection of Python scripts for computing physical properties and analyzing trajectories from molecular dynamics simulations.
  ☆20Updated 2 months ago
• Iourarum / GOPY
  ☆30Updated 3 years ago
• LePingKYXK / Velocity-ACF
  Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).
  ☆28Updated 2 years ago
• compchem-cybertraining / Tutorials_CP2K
  Tutorials on CP2K calculations
  ☆60Updated 4 years ago
• srtee / lammps-USER-CONP2
  updated constant potential plugin for LAMMPS
  ☆39Updated 2 years ago
• zhenxingwang / lammps-conp
  Constant potential method in LAMMPS
  ☆52Updated 2 years ago
• utf / pymlff
  A lightweight python package for reading and writing VASP ML_AB files
  ☆42Updated 9 months ago
• WMD-group / PDynA
  Python package to analyse the structural dynamics of perovskites
  ☆48Updated 4 months ago
• ifilot / pyqint
  An Educational Hartree-Fock Code in Python: Transparent Implementation of Gaussian-Type Integrals, SCF Procedures, and Geometry Optimizat…
  ☆54Updated this week