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
  ☆22Updated last year
• Jonsnow-willow / GPUMD-Wizard
  Material structure processing software based on ASE (Atomic Simulation Environment)
  ☆51Updated last week
• AlexGabourie / gpyumd
  A Python interface for GPUMD
  ☆30Updated 2 years ago
• AlexGabourie / thermo
  GPUMD and LAMMPS helper functions for thermal computations
  ☆25Updated 2 years ago
• zhyan0603 / GPUMDkit
  A Toolkit for GPUMD&NEP
  ☆26Updated this week
• Tingliangstu / Phonon-Vibration-Viewer
  Visualizing lattice vibration information from phonon dispersion to atoms (For GPUMD)
  ☆29Updated last year
• Tingliangstu / pySED
  To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.
  ☆34Updated 3 weeks ago
• psn417 / nep_extrapolation
  ☆11Updated last month
• tang070205 / tools
  Some scripts for gpumd and nep
  ☆32Updated this week
• hityingph / Tutorial-on-atomic-simulations
  Tutorials on atomic simulations related to my research
  ☆27Updated 2 years ago
• brucefan1983 / NEP_CPU
  CPU version of NEP
  ☆66Updated 3 weeks ago
• bigd4 / PyNEP
  A python interface of NEP
  ☆54Updated 5 months ago
• aboys-cb / NepTrainKit
  NepTrainKit is a Python package for visualizing and manipulating training datasets for NEP.
  ☆56Updated this week
• Tingliangstu / New-Version-Spectral-decomposition-python-tools
  (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.
  ☆29Updated 5 months ago
• hityingph / supporting-info
  This GitHub repository contains additional information supporting published manuscripts
  ☆17Updated 8 months ago
• eminamitani / thermal_conductivity_code
  Allen-Feldman thermal conductivity compatible to GULP implementation
  ☆19Updated 2 months 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
• aboys-cb / NepTrain
  An automated toolkit for training neuroevolution potential (NEP), integrating tools like GPUMD, VASP, and NEP for streamlined workflows i…
  ☆21Updated last week
• AdityaRoy-1996 / Phonopy_VESTA
  Export Eigenvectors from Phonopy format to VESTA
  ☆43Updated 5 months ago
• FourPhonon / FourPhonon
  An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity
  ☆65Updated last year
• 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
• conodipaola / kg4vasp
  Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP
  ☆23Updated 4 years 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
• rehnd / VASP-plot-modes
  Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP
  ☆32Updated last year
• QijingZheng / VaspVib2XSF
  Visualize vibrational modes from VASP calculations
  ☆41Updated 4 months 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
• skelton-group / Phono3py-Power-Tools
  Tools for Phono(3)py power users.
  ☆33Updated last year
• ZhongweiZhangsite / WPPT
  Wavelike and Particlelike Phonon Transport (WPPT) Solver
  ☆27Updated 5 months ago
• FourPhonon / Fourthorder
  In analogy with thirdorder.py in ShengBTE, Fourthorder.py is developed to calculate fourth-order interatomic force-constants (4th-IFCs). …
  ☆27Updated last year
• initqp / somd
  Molecular dynamics package designed for the SIESTA DFT code.
  ☆15Updated this week