Revision 11 src/Egrad.f90

Egrad.f90 (revision 11)
121 121
           Z(1:Nat)=GeomCart(1:Nat,3)
122 122
        END IF
123 123

  
124
        if (debug) then
124 125
           WRITE(*,*) "Geom before orientation after reorderring"
125 126
           WRITE(*,*) Nat
126 127
           WRITE(*,*) ""
......
157 158
              GeomCart(Iat,3)=Z(I)
158 159
           END DO
159 160
        END IF
161
     END IF
162

  
160 163
  CASE ('BAKER')
161 164
     XPrimRef=XPrimitiveF(IGeom,:)
162 165
     IF (Flag_Opt_Geom) THEN

Also available in: Unified diff