Revision 5 src/Io_module.f90

Io_module.f90 (revision 5)
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  SAVE
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  INTEGER(KINT) :: IOIN=11, IOOUT=12, IOCART=14
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  INTEGER(KINT) :: IOGEOM=15
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  INTEGER(KINT), PARAMETER :: IOTMP=21,IOTMP2=22, IOTMP3=23
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  INTEGER(KINT), PARAMETER :: IOERR=19
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  TYPE Input_Line
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     CHARACTER(LCHARS) :: Line
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     TYPE (Input_Line), POINTER :: Prev
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     TYPE (Input_Line), POINTER :: Next
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  END TYPE Input_Line
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......
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! WriteVasp controls the printing of the images coordinates in POSCAR files.
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  LOGICAL :: WriteVasp
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!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
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!
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! Variables for SIESTA input
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!
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!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
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  TYPE (Input_line), POINTER :: Siesta_Input
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  TYPE (Input_line), POINTER :: Siesta_Comment_Species,Siesta_Comment_Coord
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  TYPE (Input_Line), POINTER :: CurComSpec, CurComCoord
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  CHARACTER(LCHARS) :: Siesta_Label, Siesta_CoordFile
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! Number of species used in Siesta
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  INTEGER(KINT) :: Siesta_NbSpecies
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! Mass number for each species
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  REAL(KREAL), ALLOCATABLE :: ListSpecies(:) ! NbSpecies
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! Name of each species
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  CHARACTER(LCHARS), ALLOCATABLE :: Siesta_SpeciesName(:) ! NbSpecies
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! Species for each atom
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  INTEGER(KINT), ALLOCATABLE :: IdxSpecies(:) ! NAt
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! What to add at the end of each coordinate line
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  CHARACTER(LCHARS), ALLOCATABLE :: Siesta_Paste(:) ! Nat
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! This is the unit (ang or bohr) to read/write the coordinates
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  REAL(KREAL) :: Siesta_Unit_Read, Siesta_Unit_Write
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! The lattice constant in case we are in periodic calculation
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  REAL(KREAL) :: Siesta_LatticeConstant,Siesta_lat_unit
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!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
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!

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