periodic2interface

change lmp with periodic boundary to lmp with interface.

Parameters

• lmp: lammps data with bonds and angles across periodic boundary

• relmp: lammps data with interface

• direction: normal direction of interface, default z

• vacuum: add a vacuum, unit/Angstrom

Returns

• None

Examples

import readlammpsdata as rld

if __name__ == '__main__':
	
	lmp = "1_npt_system.data"
	relmp = "1_npt_system_z.data"
	rld.periodic2interface(lmp,relmp,direction="z",vacuum=50)
	print(help(rld.periodic2interface))

wrap	unwrap

Notes

• None