Révision 7 src/Extrapol_mixed.f90

Extrapol_mixed.f90 (revision 7)
122 122
     if (s>=dist) THEN
123 123
        s=s-dist
124 124
        IdxGeom=IdxGeom+1
125
        SGeom(IdxGeom)=s+IdxGeom*dist
125 126
        XyzGeomF(IdxGeom,:,:)=Reshape(XyzTmp2(:,:),(/3,Nat/),ORDER=(/2,1/))
126 127

  
127 128
        IntCoordF(IdxGeom,:)=IntCoordTmp
......
154 155

  
155 156
        END IF
156 157
     END IF
157
  ENDDO
158
  END DO
158 159

  
159 160

  
160 161
  if ((s>=0.1*dist).AND.(IdxGeom.EQ.NGeomF)) THEN
......
168 169
  IdxGeom=NGeomF
169 170

  
170 171
! We have to add the last geometry. We copy the last geom of Initial geometries.
171
     IntCoordF(IdxGeom,:)=IntCoordI(NGeomI,:)
172
     IntTangent(IdxGeom,:)=DerInt
172
  IntCoordF(IdxGeom,:)=IntCoordI(NGeomI,:)
173
  IntTangent(IdxGeom,:)=DerInt
173 174

  
174 175
! we convert it to cartesian geom
175 176
  call Mixed2Cart(Nat,IndZmat,IntCoordF(IdxGeom,1),XyzTmp2(1,1))

Formats disponibles : Unified diff