Alternatives and similar repositories for enumlib

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

• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆91Updated last month
• SMTG-Bham / ShakeNBreak
  Defect structure-searching employing chemically-guided bond distortions
  ☆110Updated 2 weeks ago
• ksyang2013 / aimsgb
  Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)
  ☆67Updated last year
• tdep-developers / tdep
  The Temperature Dependent Effective Potentials (TDEP) code
  ☆93Updated last week
• abelcarreras / DynaPhoPy
  Phonon anharmonicity analysis from molecular dynamics
  ☆134Updated 2 months ago
• mbkumar / pycdt
  ☆60Updated 3 years ago
• WMD-group / MacroDensity
  Python package to analyse electron density & electrostatic potential grids
  ☆88Updated last year
• MDIL-SNU / SIMPLE-NN
  SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)
  ☆48Updated 3 years ago
• SMTG-Bham / surfaxe
  Dealing with slabs for first principles calculations of surfaces
  ☆65Updated 2 years ago
• lucydot / effmass
  Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.
  ☆81Updated 6 months ago
• ulissigroup / vasp-interactive
  ☆72Updated 2 years ago
• freitas-rodrigo / FreeEnergyLAMMPS
  Examples demonstrating how to reproduce the results in the paper.
  ☆65Updated last year
• yuanyue-liu-group / CP-VASP
  ☆60Updated last year
• ICAMS / python-ace
  ☆100Updated last year
• VASPsol / VASPsol
  ☆71Updated 7 months ago
• orex / supercell
  The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.
  ☆103Updated last year
• henniggroup / GASP-python
  Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.
  ☆57Updated 2 years ago
• materialyzeai / snap
  Repository for spectral neighbor analysis potential (SNAP) model development.
  ☆37Updated 5 years ago
• gcmt-group / sod
  Site-Occupation Disorder
  ☆47Updated 7 months ago
• SSCHAcode / python-sscha
  The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).
  ☆67Updated last month
• MarsalekGroup / aml
  A... M... L...
  ☆53Updated 3 years ago
• kumagai-group / pydefect
  Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.
  ☆63Updated last week
• 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
• hellozhaoming / FCP-vasp-ase
  ASE interface for fully constant potential with VASP
  ☆40Updated last year
• ICAMS / calphy
  A Python library and command line interface for automated free energy calculations
  ☆86Updated 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
• materialsvirtuallab / matcalc
  A python library for calculating materials properties from the PES
  ☆125Updated last week
• aiida-vasp / aiida-vasp
  A plugin to AiiDA for running simulations with VASP
  ☆57Updated last week
• LePingKYXK / Velocity-ACF
  Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).
  ☆28Updated 2 years ago
• SMTG-Bham / easyunfold
  Band structure unfolding made easy!
  ☆58Updated last month