CDTK.Dynamics.MCElectronDynamics module

class CDTK.Dynamics.MCElectronDynamics.ElectronicState(**opts)

Bases: object

This class describes different ionized states used in MD simulations including “large jumps” using a Monte Carlo scheme.

initLogs()

Initialize logs.

rate(p)

Obtain rate for current process.

Input:

p = process as obtained from the interface

tupel with: 0: type (currently: ‘p’ photoionization, ‘f’ fluouresence, ‘a’ auger

1: final state for this process 2: rate or cross section 3: energy of corresponding electron

Output:

rate for this process

step(dtN)

This functions evolves the electronic state along a full nuclear step dtN.

Input: dtN - nuclear timestep

write_log(logtype)

Function writing logs. Called by wrapper-function ‘write_logs’.

Input: logtype - string defining the log to be written.

Currently possible: * charge: charge for full system * event: electron dynamics events that happened * pulse: Outputting the pulse profile * occupation: describing the state

write_logs()

Wrapper-Function to write logs. Set here which logs to write.