Alternatives and similar repositories for aimd

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

• QijingZheng / VaspVib2XSF
  Visualize vibrational modes from VASP calculations
  ☆45Updated 11 months ago
• hellozhaoming / FCP-vasp-ase
  ASE interface for fully constant potential with VASP
  ☆40Updated last year
• VASPsol / VASPsol
  ☆73Updated 8 months ago
• 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…
  ☆27Updated 2 years ago
• yuanyue-liu-group / CP-VASP
  ☆60Updated last year
• SINGROUP / VASP
  Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.
  ☆20Updated 6 years ago
• SMTG-Bham / surfaxe
  Dealing with slabs for first principles calculations of surfaces
  ☆65Updated 2 years ago
• LePingKYXK / Velocity-ACF
  Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).
  ☆28Updated 2 years ago
• gcmt-group / sod
  Site-Occupation Disorder
  ☆47Updated 8 months ago
• skelton-group / Phono3py-Power-Tools
  Tools for Phono(3)py power users.
  ☆34Updated 2 years ago
• Tingliangstu / pySED
  To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.
  ☆48Updated last week
• mbkumar / pycdt
  ☆61Updated 3 years ago
• SMTG-Bham / ThermoParser
  A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…
  ☆52Updated 7 months ago
• penghao-xiao / Electrochemical-barrier
  ☆30Updated 3 years ago
• jichunlian / disorder
  A code for generating irreducible site-occupancy configurations
  ☆52Updated 2 years ago
• QijingZheng / VASP_XDATCAR
  A python class for parsing VASP XDATCAR from molecular dynamics
  ☆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
• eminamitani / thermal_conductivity_code
  Allen-Feldman thermal conductivity compatible to GULP implementation
  ☆20Updated 8 months ago
• tamaswells / XDATCAR_toolkit
  XDATCAR_toolkit- A tool for convert XDATCAR to PDB
  ☆62Updated 6 years ago
• kumagai-group / pydefect
  Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.
  ☆64Updated last month
• srtee / lammps-USER-CONP2
  updated constant potential plugin for LAMMPS
  ☆39Updated 2 years ago
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆91Updated last month
• WMD-group / PDynA
  Python package to analyse the structural dynamics of perovskites
  ☆48Updated 4 months ago
• utf / pymlff
  A lightweight python package for reading and writing VASP ML_AB files
  ☆42Updated 10 months ago
• materialsproject / mpmorph
  MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently unde…
  ☆73Updated last year
• Yanggang-Wang-Group / CPTI
  a workflow to do constant potential thermodynamic integration in VASP
  ☆11Updated last year
• lxf-gzu / vasp_small_script
  ☆19Updated 6 years ago
• brucefan1983 / GPUMD-Tutorials
  Tutorials related to GPUMD
  ☆73Updated last week
• kavanase / vaspup2.0
  VASP Convergence Testing (for Energy & Dielectric Constants)
  ☆55Updated last month
• ninarina12 / phononDoS_tutorial
  Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"
  ☆31Updated 2 years ago