Révision 6

src/ReadInput_siesta.f90 (revision 6)
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  IMPLICIT NONE
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!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
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!
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  INTERFACE
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!
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!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
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     function valid(string) result (isValid)
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       CHARACTER(*), intent(in) :: string
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       logical                  :: isValid
......
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      Use io_module
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      implicit none
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!--------------------------------------------------------------- Input Variables
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      character(len=*), intent(in)           :: routine, msg
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      character(len=*), intent(in), optional :: file
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      integer(KINT), intent(in), optional      :: line, unit
......
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      INTEGER(KINT), OPTIONAL, INTENT(IN) :: Unit
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    END SUBROUTINE WriteList
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  END INTERFACE
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!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
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!
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 END  INTERFACE
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!
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!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
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  CHARACTER(132) ::  Line,Line2
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  INTEGER(KINT) ::  Idx
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  INTEGER(KINT) ::  IAt,I
......
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           DO I=1,NAt
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              Search => Search%next
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              Read(Search%line,*) XTmp,YTmp,ZTmp,IdxSpecies(I)
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! We give a name to this atom
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              IF (AtName(I)/="") THEN
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!                    Write(Line,'(A,I5,1X,A2,1X,A32)') 'AtName & SpeciesName for atom ',I,AtName(I), &
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!                         TRIM(Siesta_SpeciesName(IdxSpecies(I)))
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!                    WRITE(*,'(1X,A)') Line
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                 If (InString(Atname(I),TRIM(Siesta_SpeciesName(IdxSpecies(I))))==0) THEN
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                    Write(Line,'(A,I5,1X,A2,1X,A32)') 'AtName /= SpeciesName for atom ',I,AtName(I), &
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                         TRIM(Siesta_SpeciesName(IdxSpecies(I)))
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                    Call Die('Readinput_siesta:Reading AtomicCoordinatesAndAtomicSpecies',Line,Unit=IOOUT)
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                 END IF
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              ELSE
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                 AtName(I)=AdjustL(Trim(Siesta_SpeciesName(IdxSpecies(I))))
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              END IF
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! we look for something else at the end of the line
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! We save everything but the x,y,z, and species description              
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              Line=AdjustL(search%line)
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! We skip x

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