Python File.run Examples

Example #1

File: dat.py Project: hornos/pypak

 def read( self, opts = None ):
   self.rewind()
   self.clean()
   self.state( 4, self.read_np )
   File.run( self, 4 )
   self.state( 5, self.read_points )
   File.run( self,5 )

Example #2

File: SCCOUT.py Project: hornos/pypak

    def read(self, opts=None):
        self.rewind()
        self.clean()
        self.state(2, self.read_lattice_vectors)
        File.run(self, 2)

        # self.state( 25, self.read_positions )

        self.state(29, self.read_positions)
        # self.state( 31, self.read_positions )
        File.run(self)
        self.geom.gen_species()

Example #3

File: UEIG.py Project: hornos/pypak

  def read( self, opts = None ):
    self.rewind()
    self.clean()
#    self.state( 1, self.comment )
    self.state( 2, self.read_nions )
#    self.state( 3, self.comment )
    self.state( 4, self.read_efermi )
#    self.state( 5, self.comment )
    self.state( 6, self.read_nelect )
#    self.state( 7, self.comment )
#    self.state( 8, self.comment )
    self.state( 8, self.read_bands )
    File.run( self, 8 )

Example #4

File: UPOT.py Project: hornos/pypak

 def read( self, opts = None ):
   self.rewind()
   self.clean()
   self.state( 1, self.comment )
   self.state( 2, self.read_types_header )
   self.state( 3, self.comment )
   self.state( 4, self.read_types )
   File.run( self, 4 )
   self.state( 4 + self.types, self.comment )
   self.state( 4 + self.types + 2, self.comment )
   self.state( 4 + self.types + 3, self.read_ions )
   File.run( self )
   self.geom.gen_species()

Example #5

File: POSCAR.py Project: hornos/pypak

 def read( self, opts = None ):
   self.rewind()
   self.clean()
   self.state( 1, self.comment )
   self.state( 2, self.read_lattice_constant )
   self.state( 3, self.read_lattice_vectors )
   File.run( self, 3 )
   self.state( 6, self.read_types )
   self.state( 8, self.comment )
   self.state( 9, self.read_position_type )
   # self.state( 8, self.read_position_type )
   self.state( 10, self.read_positions )
   File.run( self )
   self.geom.gen_species()
   self.geom.check()

Example #6

File: CHGCAR.py Project: hornos/pypak

  def read( self, opts = None ):
    self.rewind()
    self.clean()
    self.state( 1, self.comment )
    self.state( 2, self.read_lattice_constant )
    self.state( 3, self.read_lattice_vectors )
    File.run( self, 3 )

    self.state( 6, self.read_types )
    # self.state( 8, self.comment )
    self.state( 8, self.read_position_type )
    self.state( 9, self.read_positions )
    File.run( self, 9 )

    eor = 9 + self._natom + 1
    self.state( eor , self.read_gdim )
    File.run( self, eor )

    self.state( eor + 1 , self.read_voldata )
    File.run( self )

    self.geom.gen_species()