Alternatives and similar repositories for gpaw-tools

Users that are interested in gpaw-tools are comparing it to the libraries listed below

• oekosheri / GB_code
  A grain boundary generation code
  ☆78Updated 2 years ago
• vasp-dev / py4vasp
  Python interface for VASP
  ☆87Updated this week
• aoterodelaroza / gibbs2
  Thermodynamics of solids in the quasiharmonic approximation.
  ☆38Updated last month
• pipidog / DFTtoolbox
  A toolbox for quickly build inputs and analyze results of DFT codes
  ☆44Updated 2 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 2 months ago
• ksyang2013 / aimsgb
  Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)
  ☆67Updated last year
• jochym / Elastic
  A module for ASE for elastic constants calculation.
  ☆47Updated 9 months ago
• Asif-Iqbal-Bhatti / High-Entropy-Alloys
  Generate random alloys and compute various properties
  ☆62Updated 11 months ago
• lucydot / effmass
  Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.
  ☆81Updated 6 months ago
• CSIprinceton / workshop-july-2020
  Molecular Simulation with Machine Learning - On-line workshop, July 13-14, 2020
  ☆22Updated 5 years ago
• dalcorso / thermo_pw
  Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.
  ☆59Updated this week
• romerogroup / MechElastic
  A Python library to calculate elastic properties of materials.
  ☆59Updated 3 months 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
• costrouc / dftfit
  Interatomic potential creating using DFT training data.
  ☆27Updated 6 years ago
• dgehringer / sqsgenerator
  A for finding optimized SQS structures tool written in C++
  ☆58Updated 2 weeks ago
• maise-guide / maise
  MAISE Module for Ab Initio Structure Evolution (MAISE)
  ☆35Updated last month
• pyatb / pyatb
  Ab initio tight binding simuation package
  ☆33Updated 4 months ago
• pyscal / pyscal
  Python library written in C++ for calculation of local atomic structural environment
  ☆69Updated last year
• zhongliliu / elastool
  A toolkit for automatic calculation and analysis of elastic constants
  ☆54Updated last year
• aiida-vasp / aiida-vasp
  A plugin to AiiDA for running simulations with VASP
  ☆57Updated this week
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆88Updated 2 weeks ago
• USCCACS / ThermalTools
  LAMMPS plugins for thermal conductivity and density of states calculation
  ☆50Updated 6 years ago
• Baijianlu / mDCThermalC
  A software to calculate thermal conductivity quickly and accurately
  ☆35Updated 5 years ago
• pace-neutrons / Euphonic
  Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intens…
  ☆38Updated last week
• coudertlab / elate
  ELATE: Elastic tensor analysis
  ☆86Updated last month
• tamuhey / python_1d_dft
  1D density functional theory code in Python
  ☆139Updated 2 years ago
• mturiansky / nonrad
  Implementation for computing nonradiative recombination rates in semiconductors
  ☆50Updated last week
• caneparesearch / kMCpy
  ☆27Updated last month
• 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…
  ☆73Updated last year
• elcorto / pwtools
  pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…
  ☆71Updated 5 months ago