Revision 5 src/Extrapol_cart.f90

Extrapol_cart.f90 (revision 5)
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! It has been moved to PathCreate before the 
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! computation of the Spline coefficient.
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     if (debug) THEN
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        WRITE(*,*) "Extrapol_cart- L72 - geometries "
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        DO I=1,NGeomI
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           WRITE(*,*) "Geom  ",I
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           DO J=1,Nat
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              If (renum) THEN
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                 Iat=Order(J)
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                 WRITE(*,'(1X,A10,3(1X,F15.8),A)') Trim(AtName(J)),XyzGeomI(I,1:3,Iat)
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              ELSE
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                 Iat=OrderInv(J)
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                 WRITE(*,'(1X,A10,3(1X,F15.8),A)') Trim(AtName(Iat)),XyzGeomI(I,1:3,J)
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              END IF
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           END DO
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        END DO
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     END IF
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  XyzGeomF(1,:,:)=XyzGeomI(1,:,:)
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