Alternatives and similar repositories for tools

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

• Kick-H / For_gpumd
  Some examples of GPUMD
  ☆23Updated last year
• hityingph / Tutorial-on-atomic-simulations
  Tutorials on atomic simulations related to my research
  ☆31Updated 3 years ago
• AlexGabourie / gpyumd
  A Python interface for GPUMD
  ☆32Updated 2 years ago
• Tingliangstu / pySED
  To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.
  ☆44Updated 2 weeks ago
• Jonsnow-willow / GPUMD-Wizard
  Material structure processing software based on ASE (Atomic Simulation Environment)
  ☆61Updated last week
• AlexGabourie / thermo
  GPUMD and LAMMPS helper functions for thermal computations
  ☆26Updated 3 years ago
• hityingph / supporting-info
  This GitHub repository contains additional information supporting published manuscripts
  ☆18Updated last year
• zhyan0603 / GPUMDkit
  A Toolkit for GPUMD&NEP
  ☆65Updated this week
• Tingliangstu / New-Version-Spectral-decomposition-python-tools
  (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.
  ☆32Updated 10 months ago
• Tingliangstu / Phonon-Vibration-Viewer
  Visualizing lattice vibration information from phonon dispersion to atoms (For GPUMD)
  ☆31Updated last month
• aboys-cb / NepTrainKit
  NepTrainKit is a Python package for visualizing and manipulating training datasets for NEP.
  ☆93Updated this week
• psn417 / nep_extrapolation
  ☆17Updated 6 months ago
• tang070205 / tools
  Some scripts for gpumd and nep
  ☆51Updated 2 months ago
• Tingliangstu / PPR-Phonon-Participation-Ratio
  Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …
  ☆24Updated last month
• xinqian-mit / API_Phonons
  This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.
  ☆30Updated 2 weeks ago
• tyst3273 / phonon-sed
  Python codes to calculate phonon spectral energy density from LAMMPS velocity data.
  ☆28Updated 4 years ago
• skelton-group / Phono3py-Power-Tools
  Tools for Phono(3)py power users.
  ☆34Updated 2 years ago
• bigd4 / PyNEP
  A python interface of NEP
  ☆63Updated 10 months ago
• initqp / somd
  Molecular dynamics package designed for the SIESTA DFT code.
  ☆17Updated 2 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 3 years ago
• eminamitani / thermal_conductivity_code
  Allen-Feldman thermal conductivity compatible to GULP implementation
  ☆19Updated 6 months ago
• gabkrenzer / vaspMD
  A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD…
  ☆25Updated 2 years ago
• SINGROUP / VASP
  Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.
  ☆20Updated 6 years ago
• brucefan1983 / NEP_CPU
  CPU version of NEP
  ☆80Updated 3 weeks ago
• rehnd / VASP-plot-modes
  Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP
  ☆34Updated last year
• AdityaRoy-1996 / Phonopy_VESTA
  Export Eigenvectors from Phonopy format to VESTA
  ☆49Updated 10 months ago
• lxf-gzu / vasp_small_script
  ☆19Updated 6 years ago
• mogroupumd / aimd
  ☆44Updated 7 years ago
• warda-rahim / phononplotter
  A tool for plotting phonon dispersion curves and phonon density of states.
  ☆12Updated 5 years ago
• tdep-developers / tdep-tutorials
  TDEP Tutorials
  ☆32Updated 4 months ago