Alternatives and similar repositories for tools:

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

• Jonsnow-willow / GPUMD-Wizard
  Material structure processing software based on ASE (Atomic Simulation Environment)
  ☆49Updated this week
• Kick-H / For_gpumd
  Some examples of GPUMD
  ☆22Updated 10 months ago
• aboys-cb / NepTrainKit
  NepTrainKit is a Python package for visualizing and manipulating training datasets for NEP.
  ☆33Updated this week
• AlexGabourie / gpyumd
  A Python interface for GPUMD
  ☆30Updated 2 years ago
• hhmmxr / tools
  Some scripts for gpumd and nep
  ☆19Updated 5 months ago
• brucefan1983 / NEP_CPU
  CPU version of NEP
  ☆60Updated last month
• AlexGabourie / thermo
  GPUMD and LAMMPS helper functions for thermal computations
  ☆25Updated 2 years ago
• bigd4 / PyNEP
  A python interface of NEP
  ☆50Updated 3 months ago
• Tingliangstu / Phonon-Vibration-Viewer
  Visualizing lattice vibration information from phonon dispersion to atoms (For GPUMD)
  ☆27Updated last year
• psn417 / nep_extrapolation
  ☆11Updated 3 weeks ago
• zhyan0603 / GPUMDkit
  A Toolkit for GPUMD&NEP
  ☆17Updated last week
• hityingph / Tutorial-on-atomic-simulations
  Tutorials on atomic simulations related to my research
  ☆27Updated 2 years ago
• Tingliangstu / pySED
  To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.
  ☆29Updated last month
• FourPhonon / FourPhonon
  An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity
  ☆65Updated 11 months ago
• WeibinChu / CA-NAC
  Concentric Approximation - Non-adiabatic Coupling
  ☆23Updated last month
• abelcarreras / DynaPhoPy
  Phonon anharmonicity analysis from molecular dynamics
  ☆122Updated 4 months ago
• Tingliangstu / New-Version-Spectral-decomposition-python-tools
  (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.
  ☆29Updated 3 months ago
• AdityaRoy-1996 / Phonopy_VESTA
  Export Eigenvectors from Phonopy format to VESTA
  ☆38Updated 3 months ago
• Chengcheng-Xiao / VASP_OPT_AXIS
  Fix lattice component(s) during relaxation in VASP
  ☆116Updated 3 years ago
• aboys-cb / NepTrain
  An automated toolkit for training neural network potentials (NEP), integrating tools like GPUMD, VASP, and NEP for streamlined workflows …
  ☆14Updated 2 months ago
• eminamitani / thermal_conductivity_code
  Allen-Feldman thermal conductivity compatible to GULP implementation
  ☆19Updated last month
• yangjio4849 / TransOpt
  The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…
  ☆54Updated 2 years ago
• VASPsol / VASPsol
  ☆47Updated last year
• QijingZheng / VaspVib2XSF
  Visualize vibrational modes from VASP calculations
  ☆39Updated 2 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
• SMTG-Bham / ShakeNBreak
  Defect structure-searching employing chemically-guided bond distortions
  ☆88Updated last month
• penghao-xiao / Electrochemical-barrier
  ☆25Updated 2 years ago
• ZhongweiZhangsite / WPPT
  Wavelike and Particlelike Phonon Transport (WPPT) Solver
  ☆26Updated 3 months ago
• SMTG-Bham / ThermoParser
  A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…
  ☆51Updated last month
• QuantumLab-ZY / HamEPC
  A machine learning workflow for calculating the electron-phonon coupling (EPC)
  ☆24Updated 6 months ago