1 SUBROUTINE DEPVAR (A,I,W,L)
2 IMPLICIT DOUBLE PRECISION (A-H,O-Z)
4 C***********************************************************************
6 C IN SUBROUTINE HADDON WHEN M, THE SYMMETRY OPERATION, IS 18 DEPVAR IS
7 C CALLED. DEPVAR SHOULD THEN CONTAIN A USER-WRITTEN SYMMETRY OPERATION.
8 C SEE HADDON TO GET THE IDEA ON HOW TO WRITE DEPVAR.
11 C A = ARRAY OF INTERNAL COORDINATES
12 C I = ADDRESS OF REFERENCE ATOM
14 C L = 1 (IF A BOND-LENGTH IS THE DEPENDENT FUNCTION)
15 C = 2 (IF AN ANGLE IS THE DEPENDENT FUNCTION)
16 C = 3 (IF A DIHEDRAL ANGLE IS THE DEPENDENT FUNCTION)
17 C W = VALUE OF THE FUNCTION
19 C NOTE: IT IS THE WRITER'S RESPONSIBILITY TO MAKE CERTAIN THAT THE
20 C SUBROUTINE DOES NOT CONTAIN ANY ERRORS!
21 C***********************************************************************
22 COMMON /KEYWRD/ KEYWRD
23 COMMON /NUMCAL/ NUMCAL
27 IF (ICALCN.NE.NUMCAL) THEN
29 FACT=READA(KEYWRD,INDEX(KEYWRD,'DEPVAR'))
30 WRITE(6,'('' UNIT CELL LENGTH ='',F14.7,
31 1'' TIMES BOND LENGTH'')')FACT