Alternatives and similar repositories for sqsgenerator

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

• sissaschool / sportran
  A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…
  ☆43Updated last week
• utf / pymlff
  A lightweight python package for reading and writing VASP ML_AB files
  ☆39Updated 6 months ago
• SMTG-Bham / easyunfold
  Band structure unfolding made easy!
  ☆55Updated last week
• SMTG-Bham / surfaxe
  Dealing with slabs for first principles calculations of surfaces
  ☆64Updated last year
• ksyang2013 / aimsgb
  Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)
  ☆64Updated last year
• tdep-developers / tdep
  The Temperature Dependent Effective Potentials (TDEP) code
  ☆87Updated 2 weeks ago
• materialsproject / pymatgen-analysis-defects
  Defect analysis modules for pymatgen
  ☆55Updated last week
• ulissigroup / vasp-interactive
  ☆68Updated 2 years ago
• gcmt-group / sod
  Site-Occupation Disorder
  ☆44Updated 5 months ago
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆88Updated last year
• MDIL-SNU / AMP2
  ☆22Updated 2 years ago
• LLNL / csld
  Compressive sensing lattice dynamics
  ☆28Updated 6 months 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
• SSCHAcode / python-sscha
  The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).
  ☆66Updated last month
• JMSkelton / ModeMap
  A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.
  ☆46Updated last year
• bjmorgan / py-sc-fermi
  py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…
  ☆29Updated 3 months ago
• jochym / Elastic
  A module for ASE for elastic constants calculation.
  ☆46Updated 7 months ago
• bjmorgan / vasppy
  A Python suite for manipulating VASP input and output
  ☆48Updated last month
• enze-chen / grip
  Grand canonical optimization of grain boundary phases.
  ☆27Updated 4 months ago
• MDIL-SNU / SIMPLE-NN
  SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)
  ☆48Updated 3 years ago
• lyg-ucl / md2d
  MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics
  ☆21Updated 2 years ago
• jrschmidt2 / periodic-NBO
  ☆36Updated 5 years ago
• skelton-group / Phono3py-Power-Tools
  Tools for Phono(3)py power users.
  ☆34Updated last year
• WMD-group / PDynA
  Python package to analyse the structural dynamics of perovskites
  ☆44Updated 3 weeks ago
• Linux-cpp-lisp / sitator
  Unsupervised landmark analysis for jump detection in molecular dynamics simulations.
  ☆13Updated 4 years ago
• lucydot / vesta_vectors
  A Python 3 script to visualise atomic displacement using the Vesta file format
  ☆17Updated 5 years ago
• yuanyue-liu-group / CP-VASP
  ☆48Updated 11 months ago
• dev-zero / cp2k-tools
  DEPRECATED: Simple python scripts to somehow mangle CP2K output and generate some input
  ☆26Updated 6 years ago
• kumagai-group / pydefect
  Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.
  ☆62Updated 3 weeks ago
• MorrowChem / how-to-validate-potentials
  Some tutorial-style examples for validating machine-learned interatomic potentials
  ☆35Updated last year