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A python script to convert output of twister code into a dat file in lammps format.

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sheikhahnaf/twister2lammps_dat_file_generator

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twister2lammps_dat_file_generator

#! A python script to convert output of twister code into a dat file in lammps format.

!!TWISTER is a python package that helps you construct commensurate superlattices on introducing a twist between 2D materials. If you use this package please cite the following paper for which this code was developed: "Ultraflatbands and Shear Solitons in Moire Patterns of Twisted Bilayer Transition Metal Dichalcogenides", Phys. Rev. Lett. 121, 266401 (2018) (https://doi.org/10.1103/PhysRevLett.121.266401)

!!LAMMPS is a software package for molecular dynamics simulation.

This python script facilitates converting output from TWISTER which generally provides co-ordinates for a definite twist angle of 2D bilayer structures to a file readable by lammps for taking in the co-ordinates of atoms.

NOTE: The twister generated file have to be manually stripped of lines other than the atom co-ordinates.

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A python script to convert output of twister code into a dat file in lammps format.

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