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2016-3 Schrodinger Python API
Package schrodinger :: Package application :: Package matsci :: Package nano :: Module sheet :: Class HoneycombBilayers
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Class HoneycombBilayers

object --+
         |
        HoneycombBilayers

Create honeycomb bilayers.

Instance Methods [hide private]
 
__init__(self, lattice, separation, bondlength, stacktype, nbilayers, bilayershift)
Create an instance.
 
buildBilayer(self)
Build the bilayer.
 
stackBilayers(self)
Stack the bilayers.
 
updatePBC(self)
Update the PBC.
 
translateLayers(self)
Translate the layers to be inside the box.
list
getTerminatingAtoms(self, terminatingatoms)
Return the terminating atoms for all layers.

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __new__, __reduce__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __str__, __subclasshook__

Class Variables [hide private]
  ZEROVEC = array([ 0., 0., 0.])
  STACK_DIRECTION = -1
Properties [hide private]

Inherited from object: __class__

Method Details [hide private]

__init__(self, lattice, separation, bondlength, stacktype, nbilayers, bilayershift)
(Constructor)

 

Create an instance.

Parameters:
  • lattice (schrodinger.structure.Structure) - lattice structure
  • separation (float) - bilayer separation
  • bondlength (float) - bond length between the first and second atoms in Angstrom
  • stacktype (str) - type of bilayer stacking to be used
  • nbilayers (int) - number of bilayers
  • bilayershift (float) - offset of bilayers in terms of the number of unit cells
Overrides: object.__init__

getTerminatingAtoms(self, terminatingatoms)

 

Return the terminating atoms for all layers.

Parameters:
  • termiatingatoms - terminating atoms for the first layer
  • terminatingatoms (list)
Returns: list
terminating atoms for all layers

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2016-3 Schrodinger Python API
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