Modify iprint and print options

doc/User_manual

@@ -209,7 +209,6 @@
  in every opt cycle
 
  iprint controls output format.
- Keyword "output" overrides "iprint" if both are set.
  = 1 Minimum output without MO coefficients
  = 2 Compact output with MO coefficients of HOMO-9 to LUMO+9
  = 3 Normal output with MO coefficients of HOMO-9 to LUMO+9 (default)

src/main.F90

@@ -327,23 +327,26 @@ subroutine setdefault(datajob,datacomp)
  call iabort(datacomp)
  end select
 !
- select case(datajob%print)
- case('MINIMUM')
- datajob%iprint= 1
- case('COMPACT')
- datajob%iprint= 2
- case('NORMAL')
- datajob%iprint= 3
- case('FULLMO')
- datajob%iprint= 4
- case('VERBOSE')
- datajob%iprint= 5
- case('')
- case default
- if(datacomp%master) write(datacomp%iout,'(" Error! This program does not support print= ", &
-& a16,".")') datajob%print
- call iabort(datacomp)
- end select
+ if(datajob%iprint == 0) then
+ select case(datajob%print)
+ case('MINIMUM')
+ datajob%iprint= 1
+ case('COMPACT')
+ datajob%iprint= 2
+ case('NORMAL')
+ datajob%iprint= 3
+ case('FULLMO')
+ datajob%iprint= 4
+ case('VERBOSE')
+ datajob%iprint= 5
+ case('')
+ datajob%iprint= 3
+ case default
+ if(datacomp%master) write(datacomp%iout,'(" Error! This program does not support print= ", &
+& a16,".")') datajob%print
+ call iabort(datacomp)
+ end select
+ endif
 !
  return
 end

src/module.F90

@@ -216,7 +216,7 @@ module modtype
 ! extrap : Pople extrapolation of Fock matrix
 ! cartesian : Type of coordinate system (True: Cartesian, False: redundant coordinate)
  type typejob
- integer :: iprint=3
+ integer :: iprint=0
  integer :: maxiter=150, maxdiis=20, maxsoscf=20, maxqc=15, maxqcdiag=100, maxqcdiagsub=10
  integer :: idftex=0, idftcor=0, nrad=0, nleb=0
  integer :: ncore=-1, nvfz=0, maxmp2diis=20, maxmp2iter=100