Running MPQC Utility Programs

• /usr/apps/mpqc/current/bin/scls

  • Takes a checkpoint file as an argument
  • Lists objects in checkpoint file

• /usr/apps/mpqc/current/bin/scpr

  • Takes a checkpoint file as an argument
  • Also takes “-o typename:instance_number”
  • Constructs the object and calls its print member
  • Example: scpr –o Molecule:1 clhf.wfn

Notes: