Alternatives and similar repositories for AIMD_Toolkit

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

• tyst3273 / phonon-transmission
  Harmonic phonon transmission calculations from molecular dynamics trajectories
  ☆14Updated 5 years ago
• Tingliangstu / PPR-Phonon-Participation-Ratio
  Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …
  ☆23Updated 3 years ago
• erny123 / MD-GreenKubo-Thermal-Conductivity
  The thermal conductivity of a molecular dynamics system is calculated using the Green-Kubo fluctuation Dissipation Theorem
  ☆14Updated 4 years ago
• Shin-Materials / VASP-Structural_Descriptors
  Pymatgen-based script to collect structural descriptors from many atomic structures.
  ☆12Updated last week
• K4ys4r / BoltzTraP_Tools
  BoltzTraP_Tools is an interface written using Python 2 language. It allows to parse and plot BoltzTraP output DATA
  ☆19Updated 4 years ago
• syang-creater / extract-thirdorder-forceconstant
  extract third order force constants from TDEP output
  ☆10Updated 5 years ago
• mogroupumd / interface_stability
  ☆16Updated 5 years ago
• eminamitani / thermal_conductivity_code
  Allen-Feldman thermal conductivity compatible to GULP implementation
  ☆19Updated 5 months ago
• Tingliangstu / New-Version-Spectral-decomposition-python-tools
  (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.
  ☆32Updated 9 months ago
• rashidrafeek / Quantum-ESPRESSO-scripts
  Python scripts to postprocess Quantum Espresso calclations.
  ☆18Updated 5 years ago
• ZhongweiZhangsite / WPPT
  Wavelike and Particlelike Phonon Transport (WPPT) Solver
  ☆28Updated 9 months ago
• romankempt / hetbuilder
  Builds 2D heterostructures via coincidence lattice theory.
  ☆14Updated last year
• tyst3273 / phonon-sed
  Python codes to calculate phonon spectral energy density from LAMMPS velocity data.
  ☆27Updated 4 years ago
• kmu / cif2cell
  cif2cell compatible with Python 3+
  ☆12Updated 2 years ago
• hityingph / Tutorial-on-atomic-simulations
  Tutorials on atomic simulations related to my research
  ☆30Updated 3 years ago
• hityingph / thermo
  GPUMD and LAMMPS helper functions for thermal computations
  ☆10Updated 3 years ago
• hitliaomq / ELASTIC3rd
  Calculate 3rd order elastic constant.
  ☆13Updated 5 months ago
• conodipaola / kg4vasp
  Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP
  ☆25Updated 5 years ago
• michelegalasso / automag
  Automatic search for the most stable magnetic state of a given structure
  ☆24Updated 2 years ago
• InWonYeu / interphon
  Interfacial Phonon code
  ☆28Updated 3 years ago
• Chengcheng-Xiao / Tools
  DFT post processing tools
  ☆26Updated 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 3 years ago
• harrisonlabollita / phononTools
  Python program for analyzing the output files of phonopy.
  ☆14Updated 4 years ago
• ponychen123 / Vasptools
  some toolkits for VASP
  ☆30Updated 4 years ago
• ariahosseini / InterfacePhononsToolkit
  Interfacial heat conductance
  ☆12Updated last year
• Baijianlu / AICON2
  AICON2: A program for calculating transport properties quickly and accurately
  ☆15Updated last year
• ShuangLeung / STM_2DScan
  STM-2DScan.py is a postprocessing script for VASP code to generate STM images based on DFT-calculations. It firstly imports volumetric d…
  ☆14Updated 5 years ago
• 999938825 / easyvasp
  高通量建立vasp模型和批量分析模型性质（High throughput VASP model and batch analysis model properties）
  ☆13Updated 4 years ago
• mogroupumd / aimd
  ☆43Updated 7 years ago
• JaGeo / IR
  Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP
  ☆29Updated 4 years ago