Alternatives and similar repositories for Onsager

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

• tyst3273 / pynamic-structure-factor
  python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parall…
  ☆21Updated 4 months ago
• DuaneDJohnson / Hybrid-Cuckoo-Search
  Hybrid CS for ultrafast global optimization in materials science and other diverse fields. And, Hybrid CS SCRAPs is a Multinary Solid-S…
  ☆12Updated 2 years ago
• maise-guide / maise
  MAISE Module for Ab Initio Structure Evolution (MAISE)
  ☆35Updated 3 months ago
• jochym / abinitio-methods
  Lecture materials for: Ab initio methods in solid state physics.
  ☆25Updated last year
• DefAP / defap
  DefAP is a program developed to facilitate the exploration of a material's defect chemistry. A large number of features are provided and …
  ☆22Updated 8 months ago
• KeivanS / Anharmonic-lattice-dynamics
  Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…
  ☆18Updated 3 weeks ago
• pyiron / pylammpsmpi
  Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook - based o…
  ☆35Updated this week
• aromanro / KKR
  Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation
  ☆19Updated last month
• uw-cmg / MAST
  MAterials Simulation Toolkit for use with pymatgen
  ☆17Updated last year
• MDIL-SNU / AMP2
  ☆22Updated 2 years ago
• ajjackson / mctools
  Quick tools for materials chemistry
  ☆19Updated last year
• msg-byu / autoGR
  Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density
  ☆40Updated last year
• materialyzeai / nano266
  Repository for UCSD NANO 266 Quantum Mechanical Modelling of Materials
  ☆22Updated last year
• ltalirz / asetk
  Toolkit using the Atomistic Simulation Environment (ASE)
  ☆20Updated 5 years ago
• SSlakeLabTiangong / 2020_webinar
  ☆12Updated 5 years ago
• munrojm / DiSPy
  Utility for applying the distortion symmetry method.
  ☆28Updated last year
• WMD-group / Phonons
  A collection of structures, force constants and phonon data obtained from first-principles calculations
  ☆41Updated 5 years ago
• henniggroup / electronic-structure-visualization
  Visualizations
  ☆14Updated 3 years ago
• joeyelk / MD-Structure-Factor
  Calculates 3d structure factor and simulated x-ray diffraction pattern from molecular dynamics trajectories
  ☆18Updated 6 years ago
• flokno / tools.tdep
  ☆21Updated last year
• nuwan-d / MD_model_JAM-21-1174
  Contains the MD model used in the article Dewapriya and Miller, J. Appl. Mech. 88(10): 101005 (2021).
  ☆11Updated 4 years ago
• VlachosGroup / Multiscale-KMC
  Kinetic Monte Carlo with multiple time scales and sensitivity analysis
  ☆28Updated 3 years ago
• pmla / auguste
  Minimum-strain symmetrization of Bravais lattices
  ☆18Updated 5 years ago
• hitliaomq / ELASTIC3rd
  Calculate 3rd order elastic constant.
  ☆13Updated 9 months ago
• NU-CEM / ThermoPot
  Python package for calculating thermodynamic potentials from first-principles calculations
  ☆14Updated 2 years ago
• ttadano / ALM
  ☆21Updated last year
• hackingmaterials / materials-coord
  MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms
  ☆19Updated 2 years ago
• QEF / postqe
  ☆20Updated 2 years ago
• MaterSim / CMS
  Some ongoing projects in Zhu's group
  ☆28Updated last year
• kmu / cif2cell
  cif2cell compatible with Python 3+
  ☆12Updated 3 years ago