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)
  ☆64Updated last month
• zhyan0603 / GPUMDkit
  A Toolkit for GPUMD&NEP
  ☆104Updated this week
• aboys-cb / NepTrainKit
  NepTrainKit is a Python package for visualizing and manipulating training datasets for NEP.
  ☆111Updated 2 weeks ago
• AlexGabourie / gpyumd
  A Python interface for GPUMD
  ☆33Updated 3 years ago
• Kick-H / For_gpumd
  Some examples of GPUMD
  ☆23Updated last year
• brucefan1983 / NEP_CPU
  CPU version of NEP
  ☆90Updated this week
• Tingliangstu / pySED
  To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.
  ☆51Updated last week
• hhmmxr / tools
  Some scripts for gpumd and nep
  ☆21Updated last year
• bigd4 / PyNEP
  A python interface of NEP
  ☆68Updated 3 months ago
• brucefan1983 / GPUMD-Tutorials
  Tutorials related to GPUMD
  ☆78Updated 3 weeks ago
• tyst3273 / phonon-sed
  Python codes to calculate phonon spectral energy density from LAMMPS velocity data.
  ☆29Updated 5 years ago
• MoseyQAQ / ferrodispcalc
  Python codes for calculation of polarization displacement vector in ferroelectric materials
  ☆12Updated 2 months ago
• psn417 / nep_extrapolation
  ☆19Updated 9 months ago
• AlexGabourie / thermo
  GPUMD and LAMMPS helper functions for thermal computations
  ☆26Updated 3 years ago
• nanotheorygroup / kaldo
  Anharmonic Lattice Dynamics
  ☆170Updated last week
• abelcarreras / DynaPhoPy
  Phonon anharmonicity analysis from molecular dynamics
  ☆136Updated 3 months ago
• hityingph / Tutorial-on-atomic-simulations
  Tutorials on atomic simulations related to my research
  ☆31Updated 3 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
• Chengcheng-Xiao / VASP_OPT_AXIS
  Fix lattice component(s) during relaxation in VASP
  ☆136Updated 2 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 / NepTrain
  An automated toolkit for training neuroevolution potential (NEP), integrating tools like GPUMD, VASP, and NEP for streamlined workflows i…
  ☆40Updated 2 weeks 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
• tamaswells / VASP_script
  Useful scripts for VASP
  ☆196Updated 4 years ago
• AdityaRoy-1996 / Phonopy_VESTA
  Export Eigenvectors from Phonopy format to VESTA
  ☆51Updated last year
• xinqian-mit / API_Phonons
  This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.
  ☆32Updated 3 weeks ago
• penghao-xiao / Electrochemical-barrier
  ☆30Updated 3 weeks ago
• FourPhonon / Fourthorder
  In analogy with thirdorder.py in ShengBTE, Fourthorder.py is developed to calculate fourth-order interatomic force-constants (4th-IFCs). …
  ☆28Updated 2 years ago
• MabinogiX / VASP-script
  ☆128Updated 6 years ago
• WeibinChu / CA-NAC
  Concentric Approximation - Non-adiabatic Coupling
  ☆25Updated 2 months ago
• FourPhonon / FourPhonon
  An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity
  ☆74Updated 2 months ago