sysfile -write a system description file

SYNOPSIS

  sysfile file

DESCRIPTION

The sysfile command writes GP commands on a system description file. The commands written are such that the resulting file can be read as an input script in a later GP session to restore the same internal state. The dimensions of the unit cell and reference cell, the definition of atoms, the definition of constraints and external forces are written by the sysfile command.

System description files are plain ASCII text.

The name of a system description file can be arbitrary, although the extension ".sys" is commonly used.

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