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SUBROUTINE GETSYM
IMPLICIT DOUBLE PRECISION (A-H,O-Z)
INCLUDE 'SIZES'
COMMON /GEOSYM/ NDEP, LOCPAR(MAXPAR), IDEPFN(MAXPAR),
1 LOCDEP(MAXPAR)
C***********************************************************************
C
C GETSYM READS IN THE SYMMETRY DEPENDENCE RELATIONSHIPS.
C
C ON EXIT NDEP = NUMBER OF SYMMETRY RELATIONS.
C LOCPAR = ARRAY OF REFERENCE FUNCTION INDICES.
C IDEPFN = ARRAY OF REFERENCE ATOM LOCATIONS.
C LOCDEP = ARRAY OF DEPENDENT ATOM LOCATIONS.
C
C***********************************************************************
C
C LOCDEP IS THE ATOM WHOSE COORDINATES DEPEND ON THE COORDINATES OF
C LOCPAR.
C LOCPAR IS THE ATOM WHOSE COORDINATES ARE USED TO CALCULATE THOSE
C OF LOCDEP
C IDEPFN POINTS TO THE PARTICULAR FUNCTION TO BE USED (SEE NDDO)
C
C***********************************************************************
DIMENSION IVALUE(40),VALUE(40)
CHARACTER TEXT(18)*60, LINE*80
SAVE TEXT
DATA TEXT/
1' BOND LENGTH IS SET EQUAL TO THE REFERENCE BOND LENGTH ',
2' BOND ANGLE IS SET EQUAL TO THE REFERENCE BOND ANGLE ',
3' DIHEDRAL ANGLE IS SET EQUAL TO THE REFERENCE DIHEDRAL ANGLE',
4' DIHEDRAL ANGLE VARIES AS 90 DEGREES - REFERENCE DIHEDRAL ',
5' DIHEDRAL ANGLE VARIES AS 90 DEGREES + REFERENCE DIHEDRAL ',
6' DIHEDRAL ANGLE VARIES AS 120 DEGREES - REFERENCE DIHEDRAL ',
7' DIHEDRAL ANGLE VARIES AS 120 DEGREES + REFERENCE DIHEDRAL ',
8' DIHEDRAL ANGLE VARIES AS 180 DEGREES - REFERENCE DIHEDRAL ',
9' DIHEDRAL ANGLE VARIES AS 180 DEGREES + REFERENCE DIHEDRAL ',
1' DIHEDRAL ANGLE VARIES AS 240 DEGREES - REFERENCE DIHEDRAL ',
2' DIHEDRAL ANGLE VARIES AS 240 DEGREES + REFERENCE DIHEDRAL ',
3' DIHEDRAL ANGLE VARIES AS 270 DEGREES - REFERENCE DIHEDRAL ',
4' DIHEDRAL ANGLE VARIES AS 270 DEGREES - REFERENCE DIHEDRAL ',
5' DIHEDRAL ANGLE VARIES AS - REFERENCE DIHEDRAL ',
6' BOND LENGTH VARIES AS HALF THE REFERENCE BOND LENGTH ',
7' BOND ANGLE VARIES AS HALF THE REFERENCE BOND ANGLE ',
8' BOND ANGLE VARIES AS 180 DEGREES - REFERENCE BOND ANGLE ',
9' THE USER HAS TO SUPPLY THIS FUNCTION IN DEPVAR '/
C
C TITLE OUTPUT
WRITE (6,10)
10 FORMAT (///5X,25HPARAMETER DEPENDENCE DATA//
1' REFERENCE ATOM FUNCTION NO. DEPENDENT ATOM(S)')
C
C INPUT SYMMETRY : FUNCTION, REFERANCE PARAMETER, AND DEPENDENT ATOMS
C
NDEP=0
20 READ(5,'(A)',END=70) LINE
CALL NUCHAR(LINE,VALUE,NVALUE)
C INTEGER VALUES
DO 30 I=1,NVALUE
30 IVALUE(I)=VALUE(I)
C FILL THE LOCDEP ARRAY
IF(NVALUE.EQ.0.OR.IVALUE(3).EQ.0) GO TO 70
DO 40 I=3,NVALUE
IF(IVALUE(I).EQ.0) GOTO 50
NDEP=NDEP+1
LOCDEP(NDEP)=IVALUE(I)
LOCPAR(NDEP)=IVALUE(1)
IDEPFN(NDEP)=IVALUE(2)
40 CONTINUE
50 LL=I-1
WRITE(6,60)IVALUE(1),IVALUE(2),(IVALUE(J),J=3,LL)
60 FORMAT(I13,I19,I14,11I3,10(/,43X,12I3))
GO TO 20
C
C CLEAN UP
70 CONTINUE
WRITE(6,80)
80 FORMAT(/10X,' DESCRIPTIONS OF THE FUNCTIONS USED',/)
DO 120 J=1,18
DO 90 I=1,NDEP
IF(IDEPFN(I).EQ.J) GOTO 100
90 CONTINUE
GOTO 120
100 WRITE(6,110)J,TEXT(J)
110 FORMAT(I4,5X,A)
120 CONTINUE
RETURN
END
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