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)
  ☆51Updated this week
• aboys-cb / NepTrainKit
  NepTrainKit is a Python package for visualizing and manipulating training datasets for NEP.
  ☆65Updated this week
• zhyan0603 / GPUMDkit
  A Toolkit for GPUMD&NEP
  ☆35Updated this week
• Kick-H / For_gpumd
  Some examples of GPUMD
  ☆22Updated last year
• AlexGabourie / gpyumd
  A Python interface for GPUMD
  ☆30Updated 2 years ago
• brucefan1983 / NEP_CPU
  CPU version of NEP
  ☆68Updated 2 months ago
• hhmmxr / tools
  Some scripts for gpumd and nep
  ☆20Updated 9 months ago
• bigd4 / PyNEP
  A python interface of NEP
  ☆54Updated 6 months ago
• aboys-cb / NepTrain
  An automated toolkit for training neuroevolution potential (NEP), integrating tools like GPUMD, VASP, and NEP for streamlined workflows i…
  ☆26Updated 2 weeks ago
• Tingliangstu / pySED
  To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.
  ☆37Updated last month
• AlexGabourie / thermo
  GPUMD and LAMMPS helper functions for thermal computations
  ☆25Updated 3 years ago
• FourPhonon / FourPhonon
  An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity
  ☆65Updated this week
• Tingliangstu / New-Version-Spectral-decomposition-python-tools
  (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.
  ☆31Updated 7 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
• abelcarreras / DynaPhoPy
  Phonon anharmonicity analysis from molecular dynamics
  ☆129Updated 8 months ago
• Chengcheng-Xiao / VASP_OPT_AXIS
  Fix lattice component(s) during relaxation in VASP
  ☆121Updated 3 years ago
• hityingph / Tutorial-on-atomic-simulations
  Tutorials on atomic simulations related to my research
  ☆27Updated 3 years ago
• AdityaRoy-1996 / Phonopy_VESTA
  Export Eigenvectors from Phonopy format to VESTA
  ☆43Updated 6 months ago
• nanotheorygroup / kaldo
  Anharmonic Lattice Dynamics
  ☆153Updated last week
• penghao-xiao / Electrochemical-barrier
  ☆28Updated 2 years ago
• FourPhonon / Fourthorder
  In analogy with thirdorder.py in ShengBTE, Fourthorder.py is developed to calculate fourth-order interatomic force-constants (4th-IFCs). …
  ☆26Updated last year
• MabinogiX / VASP-script
  ☆121Updated 6 years ago
• psn417 / nep_extrapolation
  ☆12Updated 3 months ago
• hellozhaoming / FCP-vasp-ase
  ASE interface for fully constant potential with VASP
  ☆35Updated 9 months ago
• xinqian-mit / API_Phonons
  This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.
  ☆29Updated 3 months ago
• tamaswells / XDATCAR_toolkit
  XDATCAR_toolkit- A tool for convert XDATCAR to PDB
  ☆60Updated 6 years ago
• WeibinChu / CA-NAC
  Concentric Approximation - Non-adiabatic Coupling
  ☆24Updated 4 months ago
• VASPsol / VASPsol
  ☆52Updated 2 months ago
• eminamitani / thermal_conductivity_code
  Allen-Feldman thermal conductivity compatible to GULP implementation
  ☆19Updated 3 months ago
• henniggroup / VASPsol
  Solvation model for the plane wave DFT code VASP.
  ☆154Updated 11 months ago