
kmclifetime
***********
Perform Kinetic Monte Carlo simulations of singlets with decay
The following table contains the defaults input options for the calculator, The default `OPTIONAL` means this option is switched off, if no input is given. 
`REQUIRED` arguments have to be specified, otherwise an error is thrown.

.. list-table::
   :header-rows: 1
   :widths: 30 20 15 15
   :align: center

   * - Property Name
     - Default Value
     - Description
     - Valid Input
   * - lifetimefile
     - lifetimes.xml
     - File from which lifetimes are read in.
     - 
   * - ratefile
     - rates.dat
     - File containing the rates
     - 
   * - trajectoryfile
     - trajectory.csv
     - Name of the trajectory file
     - 
   * - numberofinsertions
     - 4000
     - number of decays to simulate
     - int+
   * - seed
     - 23
     - Integer to initialise the random number generator
     - int+
   * - numberofcarriers
     - 1
     - Number of electrons/holes in the simulation box
     - int+
   * - injectionpattern
     - *
     - | Name pattern that specifies on which sites injection is
       | possible. Use the wildcard '*' to inject on any site.
     - 
   * - injectionmethod
     - random
     - | random: injection sites are selected randomly (generally
       | the recommended option); equilibrated: sites are chosen
       | such that the expected energy per carrier is matched,
       | possibly speeding up convergence
     - random
   * - temperature
     - 300
     - Temperature in Kelvin.
     - int+
   * - occfile
     - occupation.dat
     - File with the occupations
     - 
   * - maxrealtime
     - 1E10
     - Maximum clocktime allow to the calculation
     - float+
   * - ignoresegments
     - 
     - Segment types to be ignored in KMC
     - 
   * - carrierenergy.run
     - false
     - Switch on/off
     - bool
   * - carrierenergy.outputfile
     - energies.csv
     - File to write energies to
     - 
   * - carrierenergy.alpha
     - 0.05
     - Smoothing energy profile
     - float+
   * - carrierenergy.outputsteps
     - 10
     - Write to file every x steps
     - int+
.. note::
   An *xml* file containing the defaults for the `kmclifetime` calculator can be created via `-p kmclifetime -o FILENAME` command line options `
