Alternatives and similar repositories for CASMcode:

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

• WMD-group / MacroDensity
  Python package to analyse electron density & electrostatic potential grids
  ☆85Updated last year
• skelton-group / Phonopy-Spectroscopy
  A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.
  ☆151Updated 10 months ago
• vasp-dev / py4vasp
  Python interface for VASP
  ☆80Updated last week
• SPARC-X / SPARC
  Simulation Package for Ab-initio Real-space Calculations
  ☆73Updated last month
• shankar1729 / jdftx
  JDFTx: software for joint density functional theory
  ☆85Updated last month
• fermisurfaces / IFermi
  Fermi surface generation, analysis and visualisation.
  ☆91Updated 2 weeks ago
• orex / supercell
  The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.
  ☆98Updated 5 months ago
• abelcarreras / DynaPhoPy
  Phonon anharmonicity analysis from molecular dynamics
  ☆117Updated 2 months ago
• abinit / abipy
  Open-source library for analyzing the results produced by ABINIT
  ☆118Updated this week
• phoebe-team / phoebe
  A high-performance framework for solving phonon and electron Boltzmann equations
  ☆94Updated 3 weeks ago
• oekosheri / GB_code
  A grain boundary generation code
  ☆60Updated last year
• hackingmaterials / amset
  Electronic transport properties from first-principles calculations
  ☆137Updated 2 weeks ago
• spparks / spparks
  SPPARKS Kinetic and Metropolis Monte Carlo simulator
  ☆62Updated last week
• jkitchin / vasp
  New ASE compliant Python interface to VASP
  ☆123Updated 2 years ago
• WMD-group / ASE-Tutorials
  Examples of using the Atomic Simulation Environment
  ☆31Updated 8 years ago
• ksyang2013 / aimsgb
  Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)
  ☆58Updated 10 months ago
• henniggroup / MPInterfaces
  Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and w…
  ☆73Updated 11 months ago
• phonopy / phono3py
  A simulation package of phonon-phonon interaction related properties
  ☆129Updated this week
• romerogroup / pyprocar
  A Python library for electronic structure pre/post-processing
  ☆174Updated last week
• henniggroup / GASP-python
  Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.
  ☆56Updated last year
• dalcorso / thermo_pw
  Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.
  ☆51Updated 3 weeks ago
• ttadano / alamode
  Ab initio simulator for thermal transport and lattice anharmonicity
  ☆153Updated 2 months ago
• romerogroup / MechElastic
  A Python library to calculate elastic properties of materials.
  ☆55Updated 2 years ago
• SINGROUP / pycp2k
  Python Cp2k interface
  ☆91Updated 2 years ago
• hungpham2017 / mcu
  Modeling and Crystallographic Utilities
  ☆50Updated last year
• nakib / elphbolt
  A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.
  ☆43Updated last week
• WMD-group / Crystal_structures
  A collection of crystal structures from first-principles simulations
  ☆26Updated 4 years ago
• lucydot / effmass
  Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.
  ☆76Updated last year
• EfremBraun / calc-ir-spectra-from-lammps
  This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.
  ☆51Updated 6 years ago
• afonari / emc
  Effective Mass Calculator for Semiconductors
  ☆104Updated 4 years ago