Now GNU G77 compliant
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@ -714,7 +714,7 @@ C--------------------------------------------------------------------
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$ ' (E) Exit.')
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12000 FORMAT ( ' Command (L,D,R,A,F,E) ',$)
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13000 FORMAT (' N Theta Omega Chi Phi Int'/)
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14000 FORMAT (' 'I2,1X,4(F8.2),2X,I8,5X,A)
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14000 FORMAT (' ',I2,1X,4(F8.2),2X,I8,5X,A)
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15000 FORMAT (' There are no reflections in the list')
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16000 FORMAT (' Input reflection number: ')
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17000 FORMAT (' Reflection ',I2,' marked unused')
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@ -725,7 +725,3 @@ C--------------------------------------------------------------------
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21000 FORMAT (A)
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22000 FORMAT (I4,' reflections have been read from ',A)
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END
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@ -16,6 +16,9 @@ C-----------------------------------------------------------------------
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CHARACTER ANGLE(4)*6
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DATA ANGLE/'2theta','Omega','Chi','PH'/
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INTEGER IRUPT
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C
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external range ! Prevent use of intrinsic function under GNU G77
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C
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NATT = 0
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C------- a debug flag! Set to 0 for no debug output
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IDEBUG = 1
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@ -79,7 +82,7 @@ C-----------------------------------------------------------------------
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CALL CCTIME (PRESET,COUNT)
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IF(IDEBUG .EQ. 1)THEN
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WRITE(COUT,20000),AN(1),AN(2),AN(3),AN(4),COUNT
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20000 FORMAT('TH = ',F8.2,' OM = ',F8.2,' CH = ',F8.2,' PH = ' F8.2,
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20000 FORMAT('TH = ',F8.2,' OM = ',F8.2,' CH = ',F8.2,' PH = ', F8.2,
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& ' CTS = ', F8.2)
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ENDIF
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CALL KORQ(IRUPT)
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@ -292,6 +295,7 @@ C-----------------------------------------------------------------------
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11000 FORMAT (' Alignment Failure on ',A,'. NBOT, NTOP',2I4,' MAX',I6)
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12000 FORMAT (3I6,/,(10F10.4))
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END
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C
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C-----------------------------------------------------------------------
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C Subroutine to do a fine (1) or coarse (0) centreing on a specified
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C circle for the CAD4 using the routine GENSCN.
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@ -435,6 +439,7 @@ C write (LPT,99998) ki,theta,omega,chi,phi
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C99998 format (' After ',a,2x,4f8.3)
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RETURN
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END
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C
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C-----------------------------------------------------------------------
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C Subroutine to find the centroid of the ACOUNT distribution
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C-----------------------------------------------------------------------
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@ -500,5 +505,3 @@ C ENDIF
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C99999 format (' imax,max,nbot,ntop',A,4i6/(10f7.0))
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RETURN
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END
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@ -195,7 +195,7 @@ C-----------------------------------------------------------------------
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C Order the threefold axes on the angle with the plane
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C-----------------------------------------------------------------------
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IF (N3 - N2 .GE. 2) THEN
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DO 240 I = N3,N3 - 1
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DO 240 I = N3,N3 - 1,-1
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ANMAX = AANG(I)
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MAX = I
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DO 230 J = I + 1,N3
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@ -96,7 +96,12 @@ C-----------------------------------------------------------------------
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WORK = ACTUAL
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IF (MNCODE .NE. 'VAXVMS') then
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IF (MNCODE .EQ. 'PCMSDS') THEN
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IF (ACTUAL .EQ. 'GROUPS') WORK = '\NRCVAX\GROUPS.DAT'
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c
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c Avoid a compiler problem with '\'. char(92) is '\'!
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c
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CCC IF (ACTUAL .EQ. 'GROUPS') WORK = '\NRCVAX\GROUPS.DAT'
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IF (ACTUAL .EQ. 'GROUPS')
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+ WORK = char(92) // 'NRCVAX' // char(92) // 'GROUPS.DAT'
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C ELSE
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C IF (ACTUAL .EQ. 'GROUPS')
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C $ CALL GETENV (ACTUAL(1:LENAME),WORK)
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@ -214,7 +214,7 @@ C-----------------------------------------------------------------------
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ELSE IF (IFREE(1) .EQ. 2) THEN
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IF (STRING(6:9) .EQ. ' or ') THEN
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WRITE (COUT,16100) STRING
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16100 FORMAT (' The space-group symbol CANNOT be both 'A/
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16100 FORMAT (' The space-group symbol CANNOT be both ',A/
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$ ' Please type the correct symbol ',$)
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CALL ALFNUM (STRING)
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ENDIF
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@ -203,7 +203,7 @@ C-----------------------------------------------------------------------
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$ ' Alf* ',F7.3,' Bet* ',F7.3,' Gam* ',F7.3)
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19000 FORMAT (' a ',F8.5,' b ',F8.5,' c ',F8.5,
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$ ' Alf ',F7.3,' Bet ',F7.3,' Gam ',F7.3/)
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20000 FORMAT (' Type h,k,l,Psi (End) '$)
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20000 FORMAT (' Type h,k,l,Psi (End) ',$)
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22000 FORMAT (3I4,' Psi ',F7.3,' Rotation not possible')
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22100 FORMAT (3F8.3,' Psi ',F7.3,' Rotation not possible')
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23000 FORMAT (3I4,5F8.3)
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