IMPOTANT: due to current restructure of OpenMolcas, sagit is not compatible with it. To make a working sagit installation, one should: 1. revert OpenMolcas to 20a78070b9e58a223406546949c0b0a81bd0b130 2. Update wrvec_.f (src/property_util/) 3. compile sagit To use it: export MOLCAS_SAGIT=YES with such setting molcas/openmolcas will add extra information into orbital file. use: ./sagit file.ScfOrb to generate a .lus file