Liren Liu's Notebook
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  • Liren Liu (刘立仁)
  • Vasp
  • Scripts for job management system on super-computer
  • kMC simulation
  • Machine Learning tools
    • Useful tools on web for free
    • Scripts
      • Extract data from Gaussian output file *.log to series XSF files
      • Convert lammps structure to XYZ file
      • Extract data from OUTCAR to series XSF files
      • Convert POSCAR to lammps input files
      • Convert POSCAR to XSF files
      • Calculate species numbers in a large configuration
      • Extract poscar files from traj.xyz
  • Python Scripts
  • 断网自动重连
  • Math notation in Latex
  • Vim skills
  • A ReStructuredText Primer
Liren Liu's Notebook
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  • Machine Learning tools
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Machine Learning tools¶

Useful tools on web for free¶

  • AENET
  • AMP

Scripts¶

  • Extract data from Gaussian output file *.log to series XSF files
  • Convert lammps structure to XYZ file
  • Extract data from OUTCAR to series XSF files
  • Convert POSCAR to lammps input files
  • Convert POSCAR to XSF files
  • Calculate species numbers in a large configuration
  • Extract poscar files from traj.xyz
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