Alternatives and similar repositories for debyer

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

• EfremBraun / calc-ir-spectra-from-lammps
  This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.
  ☆53Updated 7 years ago
• sissaschool / sportran
  A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…
  ☆43Updated 2 months ago
• MaginnGroup / PyLAT
  ☆111Updated 3 years ago
• omoultosEthTuDelft / OCTP
  On-the-fly calculation of Transport Properties
  ☆26Updated 2 years ago
• SINGROUP / pycp2k
  Python Cp2k interface
  ☆99Updated 3 years ago
• arohl / gdis
  A visualization program for the display, manipulation, and analysis of isolated molecules and periodic structures
  ☆46Updated 4 months ago
• ksyang2013 / aimsgb
  Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)
  ☆67Updated last year
• freitas-rodrigo / FreeEnergyLAMMPS
  Examples demonstrating how to reproduce the results in the paper.
  ☆64Updated last year
• kinisi-dev / kinisi
  A Python package for estimating diffusion properties from molecular dynamics simulations.
  ☆75Updated last week
• WMD-group / MacroDensity
  Python package to analyse electron density & electrostatic potential grids
  ☆88Updated last year
• costrouc / dftfit
  Interatomic potential creating using DFT training data.
  ☆27Updated 6 years ago
• cp2k / cp2k-input-tools
  Fully validating pure-python CP2K input file tools including preprocessing capabilities
  ☆55Updated last week
• ulissigroup / vasp-interactive
  ☆71Updated 2 years ago
• winterPack / ReaxFF-Optimization
  Training code used to optimize reaxff force field (via LAMMPS)
  ☆19Updated 8 years ago
• potfit / potfit
  potfit force-matching code
  ☆42Updated last year
• aiidateam / aiida-cp2k
  The CP2K plugin for the AiiDA workflow and provenance engine.
  ☆25Updated last month
• srtee / lammps-USER-CONP2
  updated constant potential plugin for LAMMPS
  ☆39Updated 2 years ago
• radi0sus / xyz2tab
  Convert XYZ data to bond lengths & angles, calculate contacts, planes and dihedral angles and print tables
  ☆37Updated last year
• numat / RASPA2
  NO LONGER UPDATED. Use the official repository.
  ☆84Updated 5 years ago
• CMMRLab / LUNAR
  ☆48Updated 3 weeks ago
• zhenxingwang / lammps-conp
  Constant potential method in LAMMPS
  ☆52Updated 2 years ago
• MarsalekGroup / aml
  A... M... L...
  ☆53Updated 3 years ago
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆88Updated last week
• SarkisovGitHub / PoreBlazer
  PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…
  ☆53Updated last year
• fenggo / I-ReaxFF
  I-ReaxFF: stand for Intelligent-Reactive Force Field
  ☆34Updated last week
• elcorto / pwtools
  pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…
  ☆71Updated 5 months ago
• iRASPA / RASPA2
  Classical molecular simulation code
  ☆144Updated last year
• materialsproject / mpmorph
  MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently unde…
  ☆73Updated last year
• henniggroup / GASP-python
  Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.
  ☆57Updated 2 years ago
• libAtoms / GAP
  ☆44Updated last month