Alternatives and similar repositories for vampire

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

• UppASD / UppASD
  The UppASD package is a simulation tool for atomistic spin dynamics and Monte Carlo simulations of Heisenberg spin systems.
  ☆95Updated 2 weeks ago
• zerothi / sisl
  Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
  ☆217Updated last week
• romerogroup / pyprocar
  A Python library for electronic structure pre/post-processing
  ☆196Updated last month
• yambo-code / yambo
  This is the official GPL repository of the yambo code
  ☆125Updated last week
• phonopy / phono3py
  A simulation package of phonon-phonon interaction related properties
  ☆154Updated this week
• Z2PackDev / TBmodels
  A tool for creating and manipulating tight-binding models.
  ☆41Updated 9 months ago
• wannier-berri / wannier-berri
  Advanced tool for Wannier interpolation and integration of k-space integrals
  ☆110Updated 2 weeks ago
• mailhexu / TB2J
  a python package for computing magnetic interaction parameters
  ☆90Updated last month
• shankar1729 / jdftx
  JDFTx: software for joint density functional theory
  ☆98Updated 2 weeks ago
• phoebe-team / phoebe
  A high-performance framework for solving phonon and electron Boltzmann equations
  ☆112Updated 2 months ago
• nakib / elphbolt
  A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.
  ☆55Updated last week
• wannier-developers / wannier90
  Official repository of the Wannier90 code
  ☆294Updated last month
• band-unfolding / bandup
  BandUP: Band Unfolding code for Plane-wave based calculations
  ☆106Updated 4 years ago
• giovannipizzi / seekpath
  A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures
  ☆147Updated 8 months ago
• goodluck1982 / SpaceGroupIrep
  A mathematica package for irreducible representations of space group
  ☆59Updated 7 months ago
• quanshengwu / wannier_tools
  WannierTools: An open-source software package for novel topological materials. Full documentation:
  ☆314Updated 6 months ago
• dalcorso / pslibrary
  A library of ultrasoft and PAW pseudopotentials
  ☆90Updated 3 years ago
• abinit / abipy
  Open-source library for analyzing the results produced by ABINIT
  ☆132Updated this week
• dean0x7d / pybinding
  Scientific Python package for tight-binding calculations in solid state physics
  ☆204Updated 2 years ago
• pranabdas / espresso
  Notes and tutorials on Density Functional Theory calculation using Quantum ESPRESSO.
  ☆169Updated last week
• abinit / abinit
  The official github mirror of the Abinit repository. We welcome bug fixes and improvements. Note that most of the active developments are…
  ☆252Updated 3 months ago
• pipidog / ONCVPSP
  Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format
  ☆90Updated 5 years ago
• Z2PackDev / Z2Pack
  A tool for calculating topological invariants.
  ☆93Updated 10 months ago
• mstsuite / MuST
  Multiple Scattering Theory code for first principles calculations
  ☆74Updated 3 weeks ago
• MRHemmati / pythTB
  ☆24Updated 7 years ago
• abinit / pseudo_dojo
  Python framework for generating and validating pseudo potentials
  ☆50Updated 2 years ago
• fermisurfaces / IFermi
  Fermi surface generation, analysis and visualisation.
  ☆97Updated 3 weeks ago
• afonari / emc
  Effective Mass Calculator for Semiconductors
  ☆110Updated 5 years ago
• QEF / q-e_old
  Official mirror of Quantum ESPRESSO
  ☆48Updated 7 years ago
• santoshkumarradha / pysktb
  Scientific Python package for solving Slater Koster tight-binding topological hamiltonian
  ☆56Updated 2 years ago