Alternatives and similar repositories for SQS_generation

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

• c-niu / sqs2poscar
  A c++ code to convert bestsqs.out from mcsqs (ATAT) to POSCAR for VASP.
  ☆32Updated 9 years ago
• yangjio4849 / TransOpt
  The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…
  ☆55Updated 2 years ago
• dgehringer / sqsgenerator
  A command line tool written in Python/C++ for finding optimized SQS structures
  ☆46Updated this week
• Asif-Iqbal-Bhatti / High-Entropy-Alloys
  Generate random alloys and compute various properties
  ☆53Updated 6 months ago
• tamaswells / XDATCAR_toolkit
  XDATCAR_toolkit- A tool for convert XDATCAR to PDB
  ☆60Updated 6 years ago
• sissaschool / sportran
  A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…
  ☆42Updated 5 months ago
• gabkrenzer / PhononFlow
  A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.
  ☆34Updated 2 years ago
• SMTG-Bham / ThermoParser
  A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…
  ☆52Updated 3 weeks ago
• rehnd / VASP-plot-modes
  Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP
  ☆32Updated last year
• mzkhalid039 / DWBuilder
  Ferroelectric/Ferroelastic domain wall builder
  ☆19Updated 7 months ago
• oekosheri / GB_code
  A grain boundary generation code
  ☆67Updated last year
• keeeto / VASP-Elastic
  Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities
  ☆26Updated 9 years ago
• Chengcheng-Xiao / Tools
  DFT post processing tools
  ☆24Updated 10 months ago
• gcmt-group / sod
  Site-Occupation Disorder
  ☆43Updated 2 months ago
• ponychen123 / Vasptools
  some toolkits for VASP
  ☆29Updated 4 years ago
• lxf-gzu / vasp_small_script
  ☆19Updated 6 years ago
• NextZenStudent / Intrinsic-Stacking-Fault-Energy
  LAMMPS code for stacking fault energy calculation
  ☆11Updated 4 years ago
• QijingZheng / VaspVib2XSF
  Visualize vibrational modes from VASP calculations
  ☆41Updated 4 months ago
• VASPsol / VASPsol
  ☆49Updated last month
• kmcos / kmcos
  Kinetic Monte Carlo of Systems (KMCOS): lattice based kinetic Monte Carlo with a python front-end and Fortran back-end.
  ☆20Updated last month
• Ionizing / usefultools-for-vasp
  A lite tool for monitoring convergence in VASP relaxation
  ☆16Updated 11 months ago
• yjzhang97 / pymatgen_bs_dos_plot
  ☆21Updated 4 years ago
• WatsonGroupTCD / Occupation-matrix-control-in-VASP
  Occupation matrix control modification VASP
  ☆49Updated 5 years ago
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆87Updated 9 months ago
• SINGROUP / VASP
  Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.
  ☆20Updated 6 years ago
• Tingliangstu / New-Version-Spectral-decomposition-python-tools
  (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.
  ☆29Updated 5 months ago
• Ionizing / wavecar_parser
  VASP WAVECAR parser (Plotting pseudo wavefunction and get wavecar brief info)
  ☆17Updated 2 years ago
• xinqian-mit / API_Phonons
  This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.
  ☆30Updated last month
• lucydot / effmass
  Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.
  ☆80Updated 3 weeks ago
• materialsvirtuallab / snap
  Repository for spectral neighbor analysis potential (SNAP) model development.
  ☆36Updated 4 years ago