Alternatives and similar repositories for Tutorial-on-atomic-simulations

Users that are interested in Tutorial-on-atomic-simulations are comparing it to the libraries listed below

• Tingliangstu / pySED
  To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.
  ☆34Updated 3 weeks ago
• AlexGabourie / thermo
  GPUMD and LAMMPS helper functions for thermal computations
  ☆25Updated 2 years ago
• 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
• 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
• hhmmxr / tools
  Some scripts for gpumd and nep
  ☆20Updated 7 months ago
• bigd4 / PyNEP
  A python interface of NEP
  ☆54Updated 5 months ago
• Kick-H / For_gpumd
  Some examples of GPUMD
  ☆22Updated last year
• zhyan0603 / GPUMDkit
  A Toolkit for GPUMD&NEP
  ☆26Updated this week
• 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
• AlexGabourie / gpyumd
  A Python interface for GPUMD
  ☆30Updated 2 years ago
• Tingliangstu / Phonon-Vibration-Viewer
  Visualizing lattice vibration information from phonon dispersion to atoms (For GPUMD)
  ☆28Updated last year
• brucefan1983 / AGF-phonon-transport
  A 200-line Matlab implementation of the Atomistic Green's function (AGF) method for phonon transport
  ☆25Updated 5 years ago
• hityingph / thermo
  GPUMD and LAMMPS helper functions for thermal computations
  ☆10Updated 3 years 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
• eminamitani / thermal_conductivity_code
  Allen-Feldman thermal conductivity compatible to GULP implementation
  ☆19Updated last month
• skelton-group / Phono3py-Power-Tools
  Tools for Phono(3)py power users.
  ☆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…
  ☆20Updated last week
• ZhongweiZhangsite / WPPT
  Wavelike and Particlelike Phonon Transport (WPPT) Solver
  ☆27Updated 5 months ago
• conodipaola / kg4vasp
  Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP
  ☆23Updated 4 years ago
• Jonsnow-willow / GPUMD-Wizard
  Material structure processing software based on ASE (Atomic Simulation Environment)
  ☆51Updated last week
• AdityaRoy-1996 / Phonopy_VESTA
  Export Eigenvectors from Phonopy format to VESTA
  ☆43Updated 5 months ago
• ponychen123 / Vasptools
  some toolkits for VASP
  ☆29Updated 4 years ago
• aboys-cb / NepTrainKit
  NepTrainKit is a Python package for visualizing and manipulating training datasets for NEP.
  ☆56Updated this week
• gabkrenzer / vaspMD
  A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD…
  ☆21Updated 2 years ago
• initqp / somd
  Molecular dynamics package designed for the SIESTA DFT code.
  ☆15Updated this week
• SINGROUP / VASP
  Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.
  ☆20Updated 6 years ago
• psn417 / nep_extrapolation
  ☆11Updated last month
• InWonYeu / interphon
  Interfacial Phonon code
  ☆26Updated 2 years ago
• QijingZheng / VaspVib2XSF
  Visualize vibrational modes from VASP calculations
  ☆41Updated 4 months ago