CrySPY has a simple backup function. The following files are backed up:

  • cryspy.stat
  • log_cryspy
  • err_cryspy
  • calc_in/*
  • data/*
  • ext/*

work/* are NOT included.

  • (v1.1.0 or later) above files are copied to a directory named by date and time in “backup” directory. Previous backups are NOT automatically deleted.
  • (v1.0.0) only one generation is backed up, and previous backups will be deleted.

Auto backup

The timing of the automatic backup is as follows:

  • before going to next selection (BO, LAQA) or next generation (EA)
  • append structures

Manual backup

To manually back up, run cryspy with -b or --backup option as:

cryspy -b

This command only performs backups, unlike the normal execution.