Alternatives and similar repositories for PotentialForHEA:

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

• Asif-Iqbal-Bhatti / High-Entropy-Alloys
  Generate random alloys and compute various properties
  ☆53Updated 3 months ago
• nuwan-d / graphene_tensile_test
  LAMMPS scripts to simulate uniaxial tensile test of a graphene Sample
  ☆30Updated 4 years ago
• oekosheri / GB_code
  A grain boundary generation code
  ☆64Updated last year
• freitas-rodrigo / FreeEnergyLAMMPS
  Examples demonstrating how to reproduce the results in the paper.
  ☆54Updated 4 months ago
• simongravelle / python-for-lammps
  Python scripts for dealing with molecular dynamics script for LAMMPS
  ☆17Updated 2 years ago
• hityingph / Tutorial-on-atomic-simulations
  Tutorials on atomic simulations related to my research
  ☆27Updated 2 years ago
• hityingph / supporting-info
  This GitHub repository contains additional information supporting published manuscripts
  ☆16Updated 6 months ago
• AlexGabourie / thermo
  GPUMD and LAMMPS helper functions for thermal computations
  ☆25Updated 2 years ago
• Tingliangstu / New-Version-Spectral-decomposition-python-tools
  (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.
  ☆29Updated 3 months ago
• lingtikong / VACF_PDOS
  ☆10Updated last year
• zhyan0603 / GPUMDkit
  A Toolkit for GPUMD&NEP
  ☆17Updated last week
• zhongliliu / elastool
  A toolkit for automatic calculation and analysis of elastic constants
  ☆49Updated last year
• mz8879813 / LammpsPostprocessing
  Postprocessing of Lammps outfile to analyze ReaxFF dyanamics data
  ☆13Updated 5 years ago
• ksaaskil / shc-python-tools
  Python tools for calculating the spectral heat current distribution from LAMMPS NEMD simulations
  ☆28Updated 3 years ago
• aboys-cb / NepTrainKit
  NepTrainKit is a Python package for visualizing and manipulating training datasets for NEP.
  ☆33Updated this week
• USCCACS / ThermalTools
  LAMMPS plugins for thermal conductivity and density of states calculation
  ☆46Updated 6 years ago
• c-niu / sqs2poscar
  A c++ code to convert bestsqs.out from mcsqs (ATAT) to POSCAR for VASP.
  ☆30Updated 8 years ago
• yiming-xu / LAMMPS_Simulation
  Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling
  ☆31Updated 5 years ago
• Tingliangstu / pySED
  To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.
  ☆29Updated last month
• yuanyue-liu-group / CP-VASP
  ☆36Updated 5 months ago
• Tingliangstu / PPR-Phonon-Participation-Ratio
  Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …
  ☆21Updated 3 years ago
• hhmmxr / tools
  Some scripts for gpumd and nep
  ☆19Updated 5 months ago
• VASPsol / VASPsol
  ☆47Updated 11 months ago
• materialsvirtuallab / snap
  Repository for spectral neighbor analysis potential (SNAP) model development.
  ☆37Updated 4 years ago
• bigd4 / PyNEP
  A python interface of NEP
  ☆50Updated 3 months ago
• Tingliangstu / Lammps_tools
  Some scripting tools used for lammps input or output
  ☆58Updated 2 years ago
• gcmt-group / sod
  Site-Occupation Disorder
  ☆42Updated last year
• SINGROUP / VASP
  Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.
  ☆19Updated 6 years ago
• penghao-xiao / Electrochemical-barrier
  ☆25Updated 2 years ago
• eminamitani / thermal_conductivity_code
  Allen-Feldman thermal conductivity compatible to GULP implementation
  ☆19Updated last month