Alternatives and similar repositories for SISSOkit:

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

• USCCACS / ThermalTools
  LAMMPS plugins for thermal conductivity and density of states calculation
  ☆45Updated 5 years ago
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆84Updated 4 months ago
• joelager / Electrocatalysis-microkinetic-analysis
  Microkinetic models for electrochemical CO stripping and hydrogen oxidation
  ☆13Updated 4 years ago
• tamaswells / XDATCAR_toolkit
  XDATCAR_toolkit- A tool for convert XDATCAR to PDB
  ☆54Updated 5 years ago
• materialsvirtuallab / snap
  Repository for spectral neighbor analysis potential (SNAP) model development.
  ☆37Updated 4 years ago
• mogroupumd / aimd
  ☆40Updated 6 years ago
• mbkumar / pycdt
  ☆47Updated 2 years ago
• Asif-Iqbal-Bhatti / High-Entropy-Alloys
  Generate random alloys and compute various properties
  ☆48Updated last month
• yangjio4849 / TransOpt
  The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…
  ☆52Updated 2 years ago
• penghao-xiao / Electrochemical-barrier
  ☆23Updated 2 years ago
• QijingZheng / VaspVib2XSF
  Visualize vibrational modes from VASP calculations
  ☆37Updated 2 years ago
• LePingKYXK / Velocity-ACF
  Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).
  ☆21Updated last year
• eminamitani / thermal_conductivity_code
  Allen-Feldman thermal conductivity compatible to GULP implementation
  ☆18Updated 2 weeks ago
• SMTG-Bham / ThermoParser
  A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…
  ☆51Updated 3 weeks ago
• ldwillia / SL3ME
  A Python3 implementation of the Spectroscopic Limited Maximum Efficiency (SLME) analysis of solar absorbers
  ☆28Updated 2 years ago
• oekosheri / GB_code
  A grain boundary generation code
  ☆60Updated last year
• michelegalasso / automag
  Automatic search for the most stable magnetic state of a given structure
  ☆21Updated last year
• QijingZheng / VASP_XDATCAR
  A python class for parsing VASP XDATCAR from molecular dynamics
  ☆24Updated 4 months ago
• hellozhaoming / FCP-vasp-ase
  ASE interface for fully constant potential with VASP
  ☆29Updated 3 months ago
• simongravelle / python-for-lammps
  Python scripts for dealing with molecular dynamics script for LAMMPS
  ☆17Updated 2 years ago
• ulissigroup / vasp-interactive
  ☆63Updated last year
• avishart / CP2K_Editor
  CP2K Editor is a simple GUI for creating input files in the atomistic program CP2K. It is a easy and fast way to create the complex input…
  ☆51Updated 5 years ago
• freitas-rodrigo / FreeEnergyLAMMPS
  Examples demonstrating how to reproduce the results in the paper.
  ☆49Updated 2 months ago
• dakarhanek / VASP-infrared-intensities
  A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.
  ☆23Updated 8 months ago
• VASPsol / VASPsol
  ☆39Updated 9 months ago
• zhangylch / REANN
  ☆56Updated last month
• mzkhalid039 / DWBuilder
  Ferroelectric/Ferroelastic domain wall builder
  ☆17Updated 3 months ago
• by-student-2017 / lammps_education_reaxff_win
  ☆34Updated last month
• kmcos / kmcos
  Kinetic Monte Carlo of Systems (KMCOS): lattice based kinetic Monte Carlo with a python front-end and Fortran back-end.
  ☆19Updated 4 months ago
• srtee / lammps-USER-CONP2
  updated constant potential plugin for LAMMPS
  ☆37Updated last year