Alternatives and similar repositories for SurfinPy

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

• FedeDat / VASP-tutorial
  Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…
  ☆24Updated 2 years ago
• ksyang2013 / aimsgb
  Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)
  ☆64Updated last year
• sissaschool / sportran
  A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…
  ☆42Updated 8 months ago
• jochym / Elastic
  A module for ASE for elastic constants calculation.
  ☆46Updated 6 months ago
• omoultosEthTuDelft / OCTP
  On-the-fly calculation of Transport Properties
  ☆26Updated 2 years ago
• materialsproject / mpmorph
  MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently unde…
  ☆72Updated last year
• aiidateam / aiida-cp2k
  The CP2K plugin for the AiiDA workflow and provenance engine.
  ☆25Updated last month
• WMD-group / ASE-Tutorials
  Examples of using the Atomic Simulation Environment
  ☆36Updated 9 years ago
• wojdyr / gosam
  generator of simple atomistic models
  ☆28Updated 6 years ago
• elcorto / pwtools
  pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…
  ☆70Updated 3 months ago
• zadorlab / pynta
  Pynta - an automated workflow for reaction path exploration on metallic surfaces
  ☆40Updated 2 weeks ago
• bjmorgan / vasppy
  A Python suite for manipulating VASP input and output
  ☆46Updated 3 weeks ago
• EfremBraun / calc-ir-spectra-from-lammps
  This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.
  ☆53Updated 7 years ago
• atomisticnet / xas-tools
  Tools related to X-ray absorption spectroscopy (XAS)
  ☆19Updated last year
• gcmt-group / sod
  Site-Occupation Disorder
  ☆44Updated 4 months ago
• aiidaplugins / aiida-lammps
  LAMMPS plugin for AiiDA
  ☆25Updated this week
• costrouc / dftfit
  Interatomic potential creating using DFT training data.
  ☆27Updated 5 years ago
• pyscal / pyscal
  Python library written in C++ for calculation of local atomic structural environment
  ☆64Updated 11 months ago
• iRASPA / RUPTURA
  ☆39Updated 7 months ago
• Asif-Iqbal-Bhatti / High-Entropy-Alloys
  Generate random alloys and compute various properties
  ☆57Updated 8 months ago
• materialsproject / pymatgen-analysis-defects
  Defect analysis modules for pymatgen
  ☆54Updated last week
• velocirobbie / make-graphitics
  ☆45Updated 5 years ago
• CSIprinceton / workshop-july-2020
  Molecular Simulation with Machine Learning - On-line workshop, July 13-14, 2020
  ☆22Updated 5 years ago
• ulissigroup / vasp-interactive
  ☆67Updated 2 years ago
• ttadano / ALM
  ☆21Updated last year
• henniggroup / GASP-python
  Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.
  ☆57Updated last year
• i-pi / tutorials-schools
  ☆18Updated 4 years ago
• WMD-group / MacroDensity
  Python package to analyse electron density & electrostatic potential grids
  ☆87Updated last year
• USCCACS / ThermalTools
  LAMMPS plugins for thermal conductivity and density of states calculation
  ☆48Updated 6 years ago
• pyiron / pylammpsmpi
  Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook
  ☆33Updated this week