Révision 8 src/Read_geom.f90

Read_geom.f90 (revision 8)
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  CHARACTER(32), INTENT(IN) :: input    
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  CHARACTER(132) :: LineTmp,Line
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  INTEGER(KINT), ALLOCATABLE :: NbAtType(:) !na
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  INTEGER(KINT) :: NbType, NbTypeUser
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  INTEGER(KINT) :: I, J, Iat,NAtP,Idx,JStart
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  INTEGER(KINT) :: IGeom
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  REAL(KREAL) :: Xt,Yt,Zt
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  LOGICAL :: Debug, TChk
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  CHARACTER(4), ALLOCATABLE :: FFFt(:,:) ! 3,Na
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  LOGICAL, ALLOCATABLE :: FFFl(:,:) ! 3,Na
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  LOGICAL :: Debug
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!!! for VASP inputs
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! latx_loc used to check that the lattice parameters are the same for all geometries
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  REAL(KREAL) :: lata_loc(3), latb_loc(3), latc_loc(3)
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! VaspPar_loc is the local value of the vasp parametre
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  REAL(KREAL) :: VaspPar_loc
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! Vdir_loc is used to convert the read geometry to Cartesian.
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! V_direct is set by the first geometry.
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  CHARACTER(LCHARS) :: Vdir_loc
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  INTERFACE
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     function valid(string) result (isValid)
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       CHARACTER(*), intent(in) :: string

Formats disponibles : Unified diff