*PRINT LEVELS

Purpose:

To control the printing of output.

.CANONI

Generate canonical/natural orbitals if the wave function has converged.

.IPRAVE

READ (LUINP,*) IPRAVE
Sets print level for routines used in "super symmetry" averaging (default = 0).

.IPRCIX

READ (LUINP,*) IPRCIX
Sets print level for setup of determinant/CSF index information (default = 0).

.IPRCNO

READ (LUINP,*) IPRCNO
Sets print level for ".TRACI" option (default = 1, to print the natural orbital occupations in each iteration set IPRCNO = 1, higher values will give more print).

.IPRDIA

READ (LUINP,*) IPRDIA
Sets print level for calculation of CI diagonal (default = 0)

.IPRDNS

READ (LUINP,*) IPRDNS
Sets print level for calculation of CI density matrices (default = 0)

.IPRFCK

READ (LUINP,*) IPRFCK
Sets print level in the supersymmetry section (default=0).

.IPRKAP

READ (LUINP,*) IPRKAP
Sets print level in routines for calculation of optimal orbital trial vectors (default = 0)

.IPRSIG

READ (LUINP,*) IPRSIG
Sets print level for calculation of CI sigma vectors (default = 0)

.IPRSOL

READ (LUINP,*) IPRSOL
Sets print level in the solvent contribution parts of the calculation (default = 5).

.NOSUMMARY

No final summary of calculation.

.PRINTFLAGS

Default: flags set by general levels in ".PRINTLEVELS"

  READ (LUINP,*) NUM6, NUM4
  IF (NUM6 .GT. 0) READ (LUINP,*) (NP6PTH(I), I=1,NUM6)
  IF (NUM4 .GT. 0) READ (LUINP,*) (NP4PTH(I), I=1,NUM4)

Individual print flag settings (debug option).

.PRINTLEVELS

Default: IPRI6 = 0 and IPRI4 = 5
READ (LUINP,*) IPRI6,IPRI4
Print levels on units LUW6 and LUW4, respectively.

.THRPWF

READ (LUINP,*) THRPWF
Threshold for printout of wave function CI coefficients (default = 0.05).