1 SUBROUTINE MATOUT (A,B,NC,NR,NDIM)
2 IMPLICIT DOUBLE PRECISION (A-H,O-Z)
4 DIMENSION A(NDIM,NDIM), B(NDIM)
5 COMMON /MOLKST/ NUMAT,NAT(NUMATM),NFIRST(NUMATM),NMIDLE(NUMATM),
6 1 NLAST(NUMATM), NORBS, NELECS,NALPHA,NBETA,
7 2 NCLOSE,NOPEN,NDUMY,FRACT
8 COMMON /ELEMTS/ ELEMNT(107)
9 C**********************************************************************
11 C MATOUT PRINTS A SQUARE MATRIX OF EIGENVECTORS AND EIGENVALUES
13 C ON INPUT A CONTAINS THE MATRIX TO BE PRINTED.
14 C B CONTAINS THE EIGENVALUES.
15 C NC NUMBER OF MOLECULAR ORBITALS TO BE PRINTED.
16 C NR IS THE SIZE OF THE SQUARE ARRAY TO BE PRINTED.
17 C NDIM IS THE ACTUAL SIZE OF THE SQUARE ARRAY "A".
18 C NFIRST AND NLAST CONTAIN ATOM ORBITAL COUNTERS.
19 C NAT = ARRAY OF ATOMIC NUMBERS OF ATOMS.
22 C***********************************************************************
23 CHARACTER*2 ELEMNT, ATORBS(9), ITEXT(MAXORB), JTEXT(MAXORB)
24 DIMENSION NATOM(MAXORB)
26 DATA ATORBS/' S','PX','PY','PZ','X2','XZ','Z2','YZ','XY'/
28 IF(NLAST(NUMAT).NE.NR) GOTO 30
52 WRITE (6,100) (I,I=KA,KB)
53 IF(B(1).NE.0.D0)WRITE (6,110) (B(I),I=KA,KB)
59 IF(ITEXT(I).EQ.' S')WRITE(6,120)
60 WRITE (6,130) ITEXT(I),JTEXT(I),NATOM(I),(A(I,J),J=KA,KB)
62 IF (LB.EQ.NR) GO TO 90
67 90 IF (KB.EQ.NC) RETURN
70 IF (NR.GT.25) WRITE (6,140)
73 100 FORMAT (////,3X,9H ROOT NO.,I5,9I12)
74 110 FORMAT (/8X,10F12.5)
76 130 FORMAT (2(1X,A2),I4,F10.5,10F12.5)