Patch #:	00
Type:		unofficial update
Priority:	none
Reported:	Jiro TOYODA 
Archived:	solaris.ims.ac.jp:/pub/qcpe/mopac7/mopac7.patch.unoff.sgi
Application:	'patch -p < mopac7.patch.unoff.sgi'
Summary:	Patch file for IRIS INDIGO2.
		(Named COMMON conflict with function name).
File:		mopac7/dfpsav.f
		mopac7/dfpsav.f
		mopac7/ef.f
		mopac7/flepo.f
		mopac7/fmat.f
		mopac7/iter.f
		mopac7/mopac.f
		mopac7/nllsq.f
		mopac7/pathk.f
		mopac7/paths.f
		mopac7/powsq.f


*** mopac7/dfpsav.f.org	Tue Apr 20 10:38:12 1993
--- mopac7/dfpsav.f	Wed May 25 10:22:40 1994
***************
*** 23,29 ****
        COMMON /ALPARM/ ALPARM(3,MAXPAR),X0, X1, X2, ILOOP
        COMMON /PPARAM/ CURRT
        COMMON /GPARAM/ CURRT1,CURRT2
!       COMMON /PROFIL/ PROFIL
        COMMON /SURF  / SURF
        COMMON /KLOOP / KLOOP
        COMMON /IJLP  / IJLP, ILP, JLP, JLP1, IONE
--- 23,32 ----
        COMMON /ALPARM/ ALPARM(3,MAXPAR),X0, X1, X2, ILOOP
        COMMON /PPARAM/ CURRT
        COMMON /GPARAM/ CURRT1,CURRT2
! C ***** Modified by Jiro Toyoda at 1994-05-25 *****
! C     COMMON /PROFIL/ PROFIL
!       COMMON /PROFIC/ PROFIL
! C ***************************** at 1994-05-25 *****
        COMMON /SURF  / SURF
        COMMON /KLOOP / KLOOP
        COMMON /IJLP  / IJLP, ILP, JLP, JLP1, IONE
*** mopac7/ef.f.org	Tue Apr 20 10:38:14 1993
--- mopac7/ef.f	Wed May 25 10:27:55 1994
***************
*** 32,38 ****
        COMMON /ISTOPE/ AMS(107)
        COMMON /LAST  / LAST
        COMMON /KEYWRD/ KEYWRD
!       COMMON /TIME  / TIME0
        COMMON /GRADNT/ GRAD(MAXPAR),GNFINA
        COMMON /MOLKST/ NUMAT,NAT(NUMATM),NFIRST(NUMATM),NMIDLE(NUMATM),
       1                NLAST(NUMATM), NORBS, NELECS,NALPHA,NBETA,
--- 32,41 ----
        COMMON /ISTOPE/ AMS(107)
        COMMON /LAST  / LAST
        COMMON /KEYWRD/ KEYWRD
! C ***** Modified by Jiro Toyoda at 1994-05-25 *****
! C     COMMON /TIME  / TIME0
!       COMMON /TIMEC / TIME0
! C ***************************** at 1994-05-25 *****
        COMMON /GRADNT/ GRAD(MAXPAR),GNFINA
        COMMON /MOLKST/ NUMAT,NAT(NUMATM),NFIRST(NUMATM),NMIDLE(NUMATM),
       1                NLAST(NUMATM), NORBS, NELECS,NALPHA,NBETA,
***************
*** 50,56 ****
       $U(MAXPAR,MAXPAR),DD,rmin,rmax,omin,xlamd,xlamd0,skal,
       $MODE,NSTEP,NEGREQ,IPRNT
        COMMON/THREADS/NUM_THREADS
!       COMMON/FLUSH/NFLUSH
  
        DIMENSION IPOW(9), EIGVAL(MAXPAR),TVEC(MAXPAR),SVEC(MAXPAR),
       1FX(MAXPAR),HESSC(MAXHES),UC(MAXPAR**2),oldfx(maxpar),
--- 53,62 ----
       $U(MAXPAR,MAXPAR),DD,rmin,rmax,omin,xlamd,xlamd0,skal,
       $MODE,NSTEP,NEGREQ,IPRNT
        COMMON/THREADS/NUM_THREADS
! C ***** Modified by Jiro Toyoda at 1994-05-25 *****
! C     COMMON/FLUSH/NFLUSH
!       COMMON/FLUSHC/NFLUSH
! C ***************************** at 1994-05-25 *****
  
        DIMENSION IPOW(9), EIGVAL(MAXPAR),TVEC(MAXPAR),SVEC(MAXPAR),
       1FX(MAXPAR),HESSC(MAXHES),UC(MAXPAR**2),oldfx(maxpar),
***************
*** 562,567 ****
--- 568,576 ----
       $MODE,NSTEP,NEGREQ,IPRNT
        DIMENSION IPOW(9)               
        LOGICAL RESTRT,SCF1,LDUM,LUPD,log,rrscal,donr,gnmin 
+ C ***** Added    by Jiro Toyoda at 1994-05-25 *****
+       LOGICAL LIMSCF
+ C ***************************** at 1994-05-25 *****
        CHARACTER*241 KEYWRD,LINE                                               
        CHARACTER CHDOT*1,ZERO*1,NINE*1,CH*1
        DATA CHDOT,ZERO,NINE   /'.','0','9'/                     
*** mopac7/flepo.f.org	Tue Apr 20 10:38:14 1993
--- mopac7/flepo.f	Wed May 25 10:28:26 1994
***************
*** 12,18 ****
        COMMON /PATH  / LATOM,LPARAM,REACT(200)
        COMMON /GRADNT/ GRAD(MAXPAR),GNORM
        COMMON /MESAGE/ IFLEPO,ISCF
!       COMMON /TIME  / TIME0
        COMMON /FMATRX/ HESINV(MAXPAR**2+MAXPAR*3+1), IDUMY(4)
        COMMON /SCFTYP/ EMIN, LIMSCF
        COMMON /TIMDMP/ TLEFT, TDUMP
--- 12,21 ----
        COMMON /PATH  / LATOM,LPARAM,REACT(200)
        COMMON /GRADNT/ GRAD(MAXPAR),GNORM
        COMMON /MESAGE/ IFLEPO,ISCF
! C ***** Modified by Jiro Toyoda at 1994-05-25 *****
! C     COMMON /TIME  / TIME0
!       COMMON /TIMEC / TIME0
! C ***************************** at 1994-05-25 *****
        COMMON /FMATRX/ HESINV(MAXPAR**2+MAXPAR*3+1), IDUMY(4)
        COMMON /SCFTYP/ EMIN, LIMSCF
        COMMON /TIMDMP/ TLEFT, TDUMP
*** mopac7/fmat.f.org	Tue Apr 20 10:38:14 1993
--- mopac7/fmat.f	Wed May 25 10:28:51 1994
***************
*** 27,33 ****
        COMMON /DENSTY/ P(MPACK),PDUMY(2,MPACK)
        COMMON /TIMDMP/ TLEFT, TDUMP
        COMMON /ATMASS/ ATMASS(NUMATM)
!       COMMON /TIME  / TIME0
        COMMON /CORE  / CORE(107)
        COMMON /MOLKST/ NUMAT,NAT(NUMATM),NFIRST(NUMATM),NMIDLE(NUMATM),
       1                NLAST(NUMATM), NORBS, NELECS,NALPHA,NBETA,
--- 27,36 ----
        COMMON /DENSTY/ P(MPACK),PDUMY(2,MPACK)
        COMMON /TIMDMP/ TLEFT, TDUMP
        COMMON /ATMASS/ ATMASS(NUMATM)
! C ***** Modified by Jiro Toyoda at 1994-05-25 *****
! C     COMMON /TIME  / TIME0
!       COMMON /TIMEC / TIME0
! C ***************************** at 1994-05-25 *****
        COMMON /CORE  / CORE(107)
        COMMON /MOLKST/ NUMAT,NAT(NUMATM),NFIRST(NUMATM),NMIDLE(NUMATM),
       1                NLAST(NUMATM), NORBS, NELECS,NALPHA,NBETA,
*** mopac7/iter.f.org	Tue Apr 20 10:38:16 1993
--- mopac7/iter.f	Wed May 25 10:29:15 1994
***************
*** 15,21 ****
        COMMON /PATH  / LATOM,LPARAM,REACT(200)
        COMMON /NUMCAL/ NUMCAL
        COMMON /SCFTYP/ EMIN, LIMSCF
!       COMMON /TIME  / TIME0
        LOGICAL FULSCF, RAND, LIMSCF
        DOUBLE PRECISION WJ, WK
  C***********************************************************************
--- 15,24 ----
        COMMON /PATH  / LATOM,LPARAM,REACT(200)
        COMMON /NUMCAL/ NUMCAL
        COMMON /SCFTYP/ EMIN, LIMSCF
! C ***** Modified by Jiro Toyoda at 1994-05-25 *****
! C     COMMON /TIME  / TIME0
!       COMMON /TIMEC / TIME0
! C ***************************** at 1994-05-25 *****
        LOGICAL FULSCF, RAND, LIMSCF
        DOUBLE PRECISION WJ, WK
  C***********************************************************************
*** mopac7/mopac.f.org	Tue Apr 20 10:38:18 1993
--- mopac7/mopac.f	Wed May 25 10:29:39 1994
***************
*** 31,37 ****
        COMMON /LAST  / LAST
        COMMON /ATOMIC/ EISOL(107),EHEAT(107)
        COMMON /NUMCAL/ NUMCAL
!       COMMON /TIME  / TIME0
        COMMON /PATH  / LATOM,LPARAM,REACT(200)
  C COSMO change
        LOGICAL ISEPS, USEPS , UPDA
--- 31,40 ----
        COMMON /LAST  / LAST
        COMMON /ATOMIC/ EISOL(107),EHEAT(107)
        COMMON /NUMCAL/ NUMCAL
! C ***** Modified by Jiro Toyoda at 1994-05-25 *****
! C     COMMON /TIME  / TIME0
!       COMMON /TIMEC / TIME0
! C ***************************** at 1994-05-25 *****
        COMMON /PATH  / LATOM,LPARAM,REACT(200)
  C COSMO change
        LOGICAL ISEPS, USEPS , UPDA
*** mopac7/nllsq.f.org	Tue Apr 20 10:38:18 1993
--- mopac7/nllsq.f	Wed May 25 10:30:10 1994
***************
*** 40,46 ****
  C     TOLS6 = ABSOLUTE TOLERANCE ON X FOR LINEAR SEARCHES
  C     NRST = NUMBER OF CYCLES BETWEEN SIDESTEPS
  C     **********
!       COMMON /TIME  / TIME0
        COMMON /NLLSQI/ NCOUNT
        COMMON /NUMSCF/ NSCF
        DIMENSION Y(MAXPAR), EFS(MAXPAR), P(MAXPAR)
--- 40,49 ----
  C     TOLS6 = ABSOLUTE TOLERANCE ON X FOR LINEAR SEARCHES
  C     NRST = NUMBER OF CYCLES BETWEEN SIDESTEPS
  C     **********
! C ***** Modified by Jiro Toyoda at 1994-05-25 *****
! C     COMMON /TIME  / TIME0
!       COMMON /TIMEC / TIME0
! C ***************************** at 1994-05-25 *****
        COMMON /NLLSQI/ NCOUNT
        COMMON /NUMSCF/ NSCF
        DIMENSION Y(MAXPAR), EFS(MAXPAR), P(MAXPAR)
*** mopac7/pathk.f.org	Tue Apr 20 10:38:18 1993
--- mopac7/pathk.f	Wed May 25 10:23:14 1994
***************
*** 17,23 ****
        COMMON /PATH  / LATOM, LPARAM, REACT(200)
        COMMON /PPARAM/ CURRT
        COMMON /KLOOP / KLOOP
!       COMMON /PROFIL/ PROFIL
        COMMON /KEYWRD/ KEYWRD
        DIMENSION GD(MAXPAR),XLAST(MAXPAR),MDFP(20),XDFP(20)
        DIMENSION PROFIL(200)
--- 17,26 ----
        COMMON /PATH  / LATOM, LPARAM, REACT(200)
        COMMON /PPARAM/ CURRT
        COMMON /KLOOP / KLOOP
! C ***** Modified by Jiro Toyoda at 1994-05-25 *****
! C     COMMON /PROFIL/ PROFIL
!       COMMON /PROFIC/ PROFIL
! C ***************************** at 1994-05-25 *****
        COMMON /KEYWRD/ KEYWRD
        DIMENSION GD(MAXPAR),XLAST(MAXPAR),MDFP(20),XDFP(20)
        DIMENSION PROFIL(200)
*** mopac7/paths.f.org	Tue Apr 20 10:38:18 1993
--- mopac7/paths.f	Wed May 25 10:30:30 1994
***************
*** 4,10 ****
        COMMON /PATH  / LATOM,LPARAM,REACT(200)
        COMMON /GEOVAR/ NVAR, LOC(2,MAXPAR), IDUMY, XPARAM(MAXPAR)
        COMMON /KEYWRD/ KEYWRD
!       COMMON /TIME  / TIME0
        COMMON /GEOM  / GEO(3,NUMATM)
        COMMON /ALPARM/ ALPARM(3,MAXPAR),X0, X1, X2, ILOOP
  ************************************************************************
--- 4,13 ----
        COMMON /PATH  / LATOM,LPARAM,REACT(200)
        COMMON /GEOVAR/ NVAR, LOC(2,MAXPAR), IDUMY, XPARAM(MAXPAR)
        COMMON /KEYWRD/ KEYWRD
! C ***** Modified by Jiro Toyoda at 1994-05-25 *****
! C     COMMON /TIME  / TIME0
!       COMMON /TIMEC / TIME0
! C ***************************** at 1994-05-25 *****
        COMMON /GEOM  / GEO(3,NUMATM)
        COMMON /ALPARM/ ALPARM(3,MAXPAR),X0, X1, X2, ILOOP
  ************************************************************************
*** mopac7/powsq.f.org	Tue Apr 20 10:38:20 1993
--- mopac7/powsq.f	Wed May 25 10:31:45 1994
***************
*** 28,34 ****
        COMMON /GEOM  / GEO(3,NUMATM)
        COMMON /LAST  / LAST
        COMMON /KEYWRD/ KEYWRD
!       COMMON /TIME  / TIME0
        COMMON /NUMSCF/ NSCF
        COMMON /GEOSYM/ NDEP, LOCPAR(MAXPAR), IDEPFN(MAXPAR),
       1                 LOCDEP(MAXPAR)
--- 28,37 ----
        COMMON /GEOM  / GEO(3,NUMATM)
        COMMON /LAST  / LAST
        COMMON /KEYWRD/ KEYWRD
! C ***** Modified by Jiro Toyoda at 1994-05-25 *****
! C     COMMON /TIME  / TIME0
!       COMMON /TIMEC / TIME0
! C ***************************** at 1994-05-25 *****
        COMMON /NUMSCF/ NSCF
        COMMON /GEOSYM/ NDEP, LOCPAR(MAXPAR), IDEPFN(MAXPAR),
       1                 LOCDEP(MAXPAR)