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
• AlexGabourie / gpyumd
  A Python interface for GPUMD
  ☆33Updated 3 years ago
• Tingliangstu / pySED
  To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.
  ☆51Updated last week
• Jonsnow-willow / GPUMD-Wizard
  Material structure processing software based on ASE (Atomic Simulation Environment)
  ☆64Updated 2 months ago
• hityingph / Tutorial-on-atomic-simulations
  Tutorials on atomic simulations related to my research
  ☆31Updated 3 years ago
• 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
  ☆19Updated last year
• psn417 / nep_extrapolation
  ☆20Updated 10 months ago
• Tingliangstu / Phonon-Vibration-Viewer
  Visualizing lattice vibration information from phonon dispersion to atoms (For GPUMD)
  ☆32Updated 4 months ago
• Tingliangstu / New-Version-Spectral-decomposition-python-tools
  (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.
  ☆33Updated last year
• aboys-cb / NepTrainKit
  NepTrainKit is a Python package for visualizing and manipulating training datasets for NEP.
  ☆112Updated this week
• tyst3273 / phonon-sed
  Python codes to calculate phonon spectral energy density from LAMMPS velocity data.
  ☆29Updated 5 years ago
• zhyan0603 / GPUMDkit
  A Toolkit for GPUMD&NEP
  ☆106Updated last week
• bigd4 / PyNEP
  A python interface of NEP
  ☆68Updated 3 months ago
• aboys-cb / NepTrain
  An automated toolkit for training neuroevolution potential (NEP), integrating tools like GPUMD, VASP, and NEP for streamlined workflows i…
  ☆40Updated 3 weeks ago
• tang070205 / tools
  Some scripts for gpumd and nep
  ☆60Updated last month
• brucefan1983 / NEP_CPU
  CPU version of NEP
  ☆91Updated 2 weeks ago
• dafolkner / Silicon_project
  ☆13Updated last year
• 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
• SINGROUP / VASP
  Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.
  ☆20Updated 6 years ago
• mogroupumd / aimd
  ☆45Updated 7 years ago
• skelton-group / Phono3py-Power-Tools
  Tools for Phono(3)py power users.
  ☆35Updated 2 years ago
• brucefan1983 / GPUMD-Tutorials
  Tutorials related to GPUMD
  ☆78Updated last month
• 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
• xinqian-mit / API_Phonons
  This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.
  ☆33Updated last month
• eminamitani / thermal_conductivity_code
  Allen-Feldman thermal conductivity compatible to GULP implementation
  ☆21Updated 10 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…
  ☆27Updated 2 years ago
• Shiliang2333 / PotentialForHEA
  收集和整理适用于高熵合金分子动力学模拟的势函数。A set of interatomic potentials suitable for molecular dynamics simulations of high entropy alloys.
  ☆38Updated last month
• QijingZheng / VaspVib2XSF
  Visualize vibrational modes from VASP calculations
  ☆45Updated last year
• warda-rahim / phononplotter
  A tool for plotting phonon dispersion curves and phonon density of states.
  ☆11Updated 5 years ago