MolStrucClassifier index page

Installation

• How To Install
  • Requirement
  • Install libraly code (MolStrucClassifier)
  • Install LAMMPS code
  • Install moltemplate
  • Install Ogre
  • Using NYU GREENE

Symmetry Function code (molvec_lib)

• Symmetry Function codes (molvec_lib)
  • ver1.0
  • ver2.0

LAMMPS atom style (USER-ATOM-VEC-FULL2)

• LAMMPS atom style (USER-ATOM-VEC-FULL2)
  • USER-ATOM-VEC-FULL2

Using symmetry function in Lammps

• How to link with LAMMPS and run
  • Libraly code with LAMMPS
  • Running LAMMPS code
  • Symmetry function calculation with LAMMPS (USER-G2G3)
  • Neural Network calculation with LAMMPS (Use USER-NNout and USER-NNoutg2g3)

How to prepare data file using Ovito

• Get data file using ovito
  • How to use Ovito
  • Use Ovito with VASP file

How to prepare files using moltemplate

• How to prepare files using moltemplate
  • How to Use moltemplate

How to use Ogre

• How to use Ogre
  • How to use Ovito
  • Use Ovito with VASP file

Neural Network classification (nn-fit)

• Neural Network Classification Code
  • The code
  • Input and output files
  • Running the code
  • Test examples
  • Compilation

Parameter and Sample codes

• Parameters
• Sample_code

Indices and tables

• Index

• Module Index

• Search Page