Alternatives and similar repositories for gpaw

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

• pipidog / DFTtoolbox
  A toolbox for quickly build inputs and analyze results of DFT codes
  ☆44Updated 2 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 this week
• henniggroup / GASP-python
  Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.
  ☆57Updated 2 years ago
• WMD-group / MacroDensity
  Python package to analyse electron density & electrostatic potential grids
  ☆88Updated last year
• hungpham2017 / pyWannier90
  A Wannier90 python interface for VASP and PySCF
  ☆40Updated last week
• Baijianlu / mDCThermalC
  A software to calculate thermal conductivity quickly and accurately
  ☆35Updated 5 years ago
• MaterSim / vasprun
  quick analysis of vasp calculation
  ☆38Updated last year
• dalcorso / thermo_pw
  Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.
  ☆59Updated this week
• JohnKendrick / PDielec
  PDielec is a Python package for post-processing solid state QM and MM calculations of Infrared Spectra
  ☆13Updated 3 weeks ago
• JE1314 / LAMMPS_builder
  Generate LAMMPS datafile of confined tribological systems for NEMD simulations. Structure: slab-OFM-alkane-OFM-slab
  ☆11Updated 6 months ago
• WMD-group / ASE-Tutorials
  Examples of using the Atomic Simulation Environment
  ☆37Updated 9 years ago
• keeeto / Vasp-PV
  A shell script for calculating many interesting materials' parameters for photovoltaic applications, includng Band gap, polarisation
  ☆23Updated 9 years ago
• YueyuZhang / IM2ODE
  Inverse Design of Materials by Multi-objective Differential Evolution
  ☆50Updated 6 years ago
• aoterodelaroza / critic2
  Analysis of quantum chemical interactions in molecules and solids.
  ☆112Updated last 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
• costrouc / dftfit
  Interatomic potential creating using DFT training data.
  ☆27Updated 6 years ago
• ajjackson / ascii-phonons
  Blender extensions for illustrations of phonons
  ☆66Updated 6 years ago
• WMD-group / Phonons
  A collection of structures, force constants and phonon data obtained from first-principles calculations
  ☆40Updated 5 years ago
• munrojm / DiSPy
  Utility for applying the distortion symmetry method.
  ☆28Updated last year
• Quantum-Dynamics-Hub / libra-code
  ☆52Updated last week
• whu-maple / tbhcnn
  Prototype code of the tight-binding hamiltonian construction neural network model. Check the example_basic_method.py to construct a TB mo…
  ☆31Updated 3 years ago
• ltalirz / asetk
  Toolkit using the Atomistic Simulation Environment (ASE)
  ☆20Updated 5 years ago
• SSlakeLabTiangong / 2020_webinar
  ☆12Updated 5 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…
  ☆71Updated 5 months ago
• Ionizing / usefultools-for-vasp
  A lite tool for monitoring convergence in VASP relaxation
  ☆17Updated last year
• gVallverdu / myScripts
  Script library mainly about chemical physics.
  ☆24Updated 4 months ago
• maise-guide / maise
  MAISE Module for Ab Initio Structure Evolution (MAISE)
  ☆35Updated last month
• pekkosk / hotbit
  ASE density-functional tight-binding calculator
  ☆66Updated 9 months ago
• arohl / gdis
  A visualization program for the display, manipulation, and analysis of isolated molecules and periodic structures
  ☆46Updated 4 months ago
• WMD-group / Crystal_structures
  A collection of crystal structures from first-principles simulations
  ☆35Updated 5 years ago