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prmat.f
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prmat.f
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! This file is part of stda.
!
! Copyright (C) 2013-2019 Stefan Grimme
!
! stda is free software: you can redistribute it and/or modify it under
! the terms of the GNU Lesser General Public License as published by
! the Free Software Foundation, either version 3 of the License, or
! (at your option) any later version.
!
! stda is distributed in the hope that it will be useful,
! but WITHOUT ANY WARRANTY; without even the implied warranty of
! MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
! GNU Lesser General Public License for more details.
!
! You should have received a copy of the GNU Lesser General Public License
! along with stda. If not, see <https://www.gnu.org/licenses/>.
!
SUBROUTINE PRMAT(IUOUT,R,N,M,HEAD)
CHARACTER*(*) HEAD
real*8 R(*)
C SUBROUTINE PRINTS MATRIX R,WHICH IS SUPPOSED
C TO HAVE DIMENSION N,M WHEN M IS NONZERO AND
C ((N+1)*N)/2 WHEN M IS ZERO
WRITE(IUOUT,1001) HEAD
NKPB=8
IF(M)10,10,80
C
10 CONTINUE
IBL=N/NKPB
IR=N-IBL*NKPB
J1=1
K1S=1
KD=0
IF(IBL.EQ.0) GO TO 50
J2=NKPB
DO 40 I=1,IBL
WRITE(IUOUT,1002)(J,J=J1,J2)
K1=K1S
K2=K1
KK=0
DO 20 J=J1,J2
WRITE(IUOUT,1003)J,(R(K),K=K1,K2)
KK=KK+1
K1=K1+KD+KK
20 K2=K1+KK
J1=J1+NKPB
IF(J1.GT.N) RETURN
J2=J2+NKPB
K2=K1-1
K1=K2+1
K2=K1+(NKPB-1)
K1S=K2+1
KK=KD+NKPB
DO 30 J=J1,N
WRITE(IUOUT,1003)J,(R(K),K=K1,K2)
KK=KK+1
K1=K1+KK
30 K2=K2+KK
40 KD=KD+NKPB
50 IF(IR.EQ.0) GO TO 70
K1=K1S
J2=J1+IR-1
KK=0
K2=K1
WRITE(IUOUT,1002)(J,J=J1,J2)
WRITE(IUOUT,1003)
DO 60 J=J1,J2
WRITE(IUOUT,1003)J,(R(K),K=K1,K2)
KK=KK+1
K1=K1+KD+KK
60 K2=K1+KK
70 RETURN
80 IBL=M/NKPB
IR=M-IBL*NKPB
I2=0
K2=0
IF(IBL.EQ.0) GO TO 100
DO 90 I=1,IBL
I1=(I-1)*N*NKPB+1
I2=I1+(NKPB-1)*N
K1=K2+1
K2=K1+(NKPB-1)
WRITE(IUOUT,1002)(K,K=K1,K2)
DO 90 J=1,N
WRITE(IUOUT,1003)J,(R(IJ),IJ=I1,I2,N)
I1=I1+1
90 I2=I1+(NKPB-1)*N
100 IF(IR.EQ.0) GO TO 120
I1=IBL*N*NKPB+1
I2=I1+(IR-1)*N
K1=K2+1
K2=M
WRITE(IUOUT,1002)(K,K=K1,K2)
WRITE(IUOUT,1003)
DO 110 J=1,N
WRITE(IUOUT,1003)J,(R(IJ),IJ=I1,I2,N)
I1=I1+1
I2=I1+(IR-1)*N
110 CONTINUE
120 WRITE(IUOUT,1003)
RETURN
1001 FORMAT(/,2X,A)
1002 FORMAT(/,' ',4X,8(3X,I4,3X),/)
1003 FORMAT(' ',I4,8F10.5)
END
SUBROUTINE PRMAT4(IUOUT,R,N,M,HEAD)
CHARACTER*(*) HEAD
real*4 R(*)
C SUBROUTINE PRINTS MATRIX R,WHICH IS SUPPOSED
C TO HAVE DIMENSION N,M WHEN M IS NONZERO AND
C ((N+1)*N)/2 WHEN M IS ZERO
WRITE(IUOUT,1001) HEAD
NKPB=8
IF(M)10,10,80
C
10 CONTINUE
IBL=N/NKPB
IR=N-IBL*NKPB
J1=1
K1S=1
KD=0
IF(IBL.EQ.0) GO TO 50
J2=NKPB
DO 40 I=1,IBL
WRITE(IUOUT,1002)(J,J=J1,J2)
K1=K1S
K2=K1
KK=0
DO 20 J=J1,J2
WRITE(IUOUT,1003)J,(R(K),K=K1,K2)
KK=KK+1
K1=K1+KD+KK
20 K2=K1+KK
J1=J1+NKPB
IF(J1.GT.N) RETURN
J2=J2+NKPB
K2=K1-1
K1=K2+1
K2=K1+(NKPB-1)
K1S=K2+1
KK=KD+NKPB
DO 30 J=J1,N
WRITE(IUOUT,1003)J,(R(K),K=K1,K2)
KK=KK+1
K1=K1+KK
30 K2=K2+KK
40 KD=KD+NKPB
50 IF(IR.EQ.0) GO TO 70
K1=K1S
J2=J1+IR-1
KK=0
K2=K1
WRITE(IUOUT,1002)(J,J=J1,J2)
WRITE(IUOUT,1003)
DO 60 J=J1,J2
WRITE(IUOUT,1003)J,(R(K),K=K1,K2)
KK=KK+1
K1=K1+KD+KK
60 K2=K1+KK
70 RETURN
80 IBL=M/NKPB
IR=M-IBL*NKPB
I2=0
K2=0
IF(IBL.EQ.0) GO TO 100
DO 90 I=1,IBL
I1=(I-1)*N*NKPB+1
I2=I1+(NKPB-1)*N
K1=K2+1
K2=K1+(NKPB-1)
WRITE(IUOUT,1002)(K,K=K1,K2)
DO 90 J=1,N
WRITE(IUOUT,1003)J,(R(IJ),IJ=I1,I2,N)
I1=I1+1
90 I2=I1+(NKPB-1)*N
100 IF(IR.EQ.0) GO TO 120
I1=IBL*N*NKPB+1
I2=I1+(IR-1)*N
K1=K2+1
K2=M
WRITE(IUOUT,1002)(K,K=K1,K2)
WRITE(IUOUT,1003)
DO 110 J=1,N
WRITE(IUOUT,1003)J,(R(IJ),IJ=I1,I2,N)
I1=I1+1
I2=I1+(IR-1)*N
110 CONTINUE
120 WRITE(IUOUT,1003)
RETURN
1001 FORMAT(/,2X,A)
1002 FORMAT(/,' ',4X,8(3X,I4,3X),/)
1003 FORMAT(' ',I4,8F10.5)
END