Pythonic Virtual Machine
LOCPOTShaping Class Reference

Detailed Description

This circuit will extract the potential from a LOCPOT file for both ortharombic and non orthorombic files. After extracting the potential the circuit will reshape the data into a cubic format so it can be read by the PyVAFM.

Initialisation parameters:

  • PotentialFilename = LOCPOT Filename | string
  • OutputFilename = Output Filename | string
  • ZCutOff = [LowerIndex | int ,UpperIndex | int] This is the upper and lower z index cut offs allowings users to cut off top or bottom of locpot files
  • ForcefieldSize = [x | float ,y | float,z | float] This is the total size of the force field, By default this is set to the size of the appropriate component of the lattice vectors.
  • ForcefieldStepSize = [x | float ,y | float,z | float] This is the step size of the force field,

Inherits Circuit.

Additional Inherited Members

- Public Attributes inherited from Circuit
 name
 Name of the circuit. More...
 
 enabled
 if it is working... More...
 
 machine
 Reference to the virtual machine to which this circuit belongs. More...
 
 pushed
 Push output buffer at the end of Update. More...
 
 I
 Dictionary of input channels.
 
 O
 Dictionary of output channels.
 
 cCoreID
 index of circuit in cCore
 

Documentation for pyVAFM
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