i4DlinVasp Class Reference

Detailed Description

schema

This is the circuit that calculates the interpolation of 4d PARCHG data that is outputted from VASP and is used for STM images.

• Initialisation parameters:.
  • Components = Number of components of force in the force field.
  • pushed True|False
• Initialisation commands:
  • BiasStep = The stepsize of the bias between the VASP files.
  • StartingV = The starting value of the voltage.
  • ConfigureVASP -pbc = True|False True|False True|False The perodic boundary condition for x y and z.
• Input channels:
  • x : this is x the coordiante to calculate the interpolation.
  • y : this is y the coordiante to calculate the interpolation.
  • z : this is z the coordiante to calculate the interpolation.
  • V : this ist he voltage of the STM.
• Output channels:
  • F: The interpolated output.

Example:

inter = machine.AddCircuit(type='i4Dlin',name='inter', components=1, pushed=True)
inter.BiasStep=0.5
inter.StartingV=1
inter.ConfigureVASP(pbc=[True,True,False,False])
inter.ReadVASPData("parchg.1.0")

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