C C $Id: wrtxyz.F,v 1.2 1998/07/16 16:40:58 jjv5 Exp $ C C------------------------------------------------------------------------ SUBROUTINE WRTXYZ C C-RDC C WRITES OUT CARTESIAN COORDINATES TO UNIT IOUT. C IMPLICIT DOUBLE PRECISION (A-H,O-Z) #include "divcon.dim" #include "divcon.h" C C-RDC WRITE(IOUT,10) 10 FORMAT(//5X,'ATOM',5X,'ELEMENTAL',12X,'CARTESIAN COORDINATES', . /4X,'NUMBER',5X,'SYMBOL',12X,'X',11X,'Y',11X,'Z'/) if (index(keywrd,'PUSH').ne.0) then DO 50 I=1,NATOMS IAT = IATNUM(I) IF(IAT.EQ.0) GO TO 50 C-RDC WRITE(IOUT,20) I,SYMBOL(IAT),(XYZ(J,I),J=1,3) 20 FORMAT(3X,I5,9X,A2,7X,3(2X,E12.5)) 50 CONTINUE else DO 100 I=1,NATOMS IAT = IATNUM(I) IF(IAT.EQ.0) GO TO 100 C-RDC WRITE(IOUT,30) I,SYMBOL(IAT),(XYZ(J,I),J=1,3) 30 FORMAT(3X,I5,9X,A2,7X,3(2X,F10.5)) 100 CONTINUE endif RETURN END