Alternatives and similar repositories for aces

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

• romerogroup / MechElastic
  A Python library to calculate elastic properties of materials.
  ☆59Updated 5 months ago
• lingtikong / phana
  ☆27Updated last year
• nakib / elphbolt
  A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.
  ☆55Updated 3 weeks ago
• nuwan-d / polymer_metal_interface
  Provides some useful information and the LAMMPS input files to model a polymer-metal interface.
  ☆38Updated 4 years ago
• symmy596 / SurfinPy
  Thermodynamic Phase Diagram Generator
  ☆57Updated 3 years ago
• pnieves2019 / MAELAS
  Software to calculate magnetostriction coefficients and magnetoelastic constants
  ☆19Updated 2 years ago
• pylada / pylada-light
  A physics computational framework for python and ipython
  ☆38Updated 6 months ago
• bjmorgan / VASP-Utilities
  A collection of command line utilities for manipulating VASP input / outpu
  ☆25Updated 3 years ago
• uw-cmg / MAST
  MAterials Simulation Toolkit for use with pymatgen
  ☆17Updated last year
• prisms-center / CASMcode
  First-principles statistical mechanical software for the study of multi-component crystalline solids
  ☆123Updated 2 years ago
• WMD-group / Phonons
  A collection of structures, force constants and phonon data obtained from first-principles calculations
  ☆41Updated 5 years ago
• YueyuZhang / IM2ODE
  Inverse Design of Materials by Multi-objective Differential Evolution
  ☆50Updated 6 years ago
• Z2PackDev / TBmodels
  A tool for creating and manipulating tight-binding models.
  ☆41Updated 10 months ago
• pylada / pylada-defects
  A computational framework to automate point defect calculations
  ☆38Updated 7 years ago
• brucefan1983 / MATLADY
  A MATlab toolkit for LAttice DYnamics calculations based on empirical potentials
  ☆10Updated 6 years ago
• fermisurfaces / IFermi
  Fermi surface generation, analysis and visualisation.
  ☆97Updated last week
• jarvist / Julia-Phonons
  Julia codes to play with Phonons
  ☆24Updated 7 years ago
• gVallverdu / bandstructureplots
  Band structure plots using pymatgen and a rgb scale to look at atomic or orbital contributions.
  ☆46Updated 7 years ago
• henniggroup / GASP-python
  Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.
  ☆57Updated 2 years ago
• USCCACS / ThermalTools
  LAMMPS plugins for thermal conductivity and density of states calculation
  ☆50Updated 6 years ago
• DallasTrinkle / Onsager
  Onsager coefficients for interstitial and vacancy-mediated diffusion
  ☆13Updated 11 months ago
• keeeto / Vasp-PV
  A shell script for calculating many interesting materials' parameters for photovoltaic applications, includng Band gap, polarisation
  ☆23Updated 10 years ago
• anharmonic / d3q
  D3Q + thermal2
  ☆26Updated 2 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…
  ☆71Updated 7 months ago
• jochym / Elastic
  A module for ASE for elastic constants calculation.
  ☆47Updated this week
• brandongc / lfdft
  Density Functional Theory with Finite Difference and Lagrange Function Basis Sets
  ☆14Updated 10 years ago
• ttadano / ALM
  ☆21Updated last year
• tkotani / ecalj
  The quasiparticle self-consistent GW method in the PMT method (LAPW+LMTO+Lo).
  ☆35Updated last month
• hungpham2017 / mcu
  Modeling and Crystallographic Utilities
  ☆51Updated 2 years ago
• Baijianlu / mDCThermalC
  A software to calculate thermal conductivity quickly and accurately
  ☆35Updated 5 years ago