Alternatives and similar repositories for gpyumd

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

• Kick-H / For_gpumd
  Some examples of GPUMD
  ☆23Updated last year
• Jonsnow-willow / GPUMD-Wizard
  Material structure processing software based on ASE (Atomic Simulation Environment)
  ☆64Updated 2 weeks ago
• hhmmxr / tools
  Some scripts for gpumd and nep
  ☆21Updated last year
• Tingliangstu / pySED
  To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.
  ☆48Updated last week
• hityingph / Tutorial-on-atomic-simulations
  Tutorials on atomic simulations related to my research
  ☆31Updated 3 years ago
• bigd4 / PyNEP
  A python interface of NEP
  ☆67Updated last month
• aboys-cb / NepTrainKit
  NepTrainKit is a Python package for visualizing and manipulating training datasets for NEP.
  ☆106Updated last week
• AlexGabourie / thermo
  GPUMD and LAMMPS helper functions for thermal computations
  ☆26Updated 3 years ago
• tang070205 / tools
  Some scripts for gpumd and nep
  ☆59Updated last week
• zhyan0603 / GPUMDkit
  A Toolkit for GPUMD&NEP
  ☆91Updated last week
• brucefan1983 / NEP_CPU
  CPU version of NEP
  ☆84Updated this week
• hityingph / supporting-info
  This GitHub repository contains additional information supporting published manuscripts
  ☆18Updated last year
• psn417 / nep_extrapolation
  ☆18Updated 8 months ago
• Tingliangstu / New-Version-Spectral-decomposition-python-tools
  (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.
  ☆32Updated last year
• tyst3273 / phonon-sed
  Python codes to calculate phonon spectral energy density from LAMMPS velocity data.
  ☆29Updated 4 years ago
• Tingliangstu / Phonon-Vibration-Viewer
  Visualizing lattice vibration information from phonon dispersion to atoms (For GPUMD)
  ☆32Updated 3 months ago
• xinqian-mit / API_Phonons
  This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.
  ☆32Updated 2 weeks ago
• FourPhonon / FourPhonon
  An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity
  ☆72Updated last month
• brucefan1983 / GPUMD-Tutorials
  Tutorials related to GPUMD
  ☆73Updated last week
• brucefan1983 / AGF-phonon-transport
  A 200-line Matlab implementation of the Atomistic Green's function (AGF) method for phonon transport
  ☆28Updated 5 years ago
• abelcarreras / DynaPhoPy
  Phonon anharmonicity analysis from molecular dynamics
  ☆134Updated 2 months ago
• aboys-cb / NepTrain
  An automated toolkit for training neuroevolution potential (NEP), integrating tools like GPUMD, VASP, and NEP for streamlined workflows i…
  ☆38Updated 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 week
• AdityaRoy-1996 / Phonopy_VESTA
  Export Eigenvectors from Phonopy format to VESTA
  ☆50Updated last year
• tamaswells / XDATCAR_toolkit
  XDATCAR_toolkit- A tool for convert XDATCAR to PDB
  ☆62Updated 6 years ago
• SMTG-Bham / ThermoParser
  A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…
  ☆52Updated 7 months ago
• eminamitani / thermal_conductivity_code
  Allen-Feldman thermal conductivity compatible to GULP implementation
  ☆20Updated 8 months ago
• yangjio4849 / TransOpt
  The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…
  ☆55Updated 3 years ago
• mogroupumd / aimd
  ☆45Updated 7 years 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