latticegen
**********
Writes a state file with a surrogate simple cubic lattice hopping model (sites at (i+1/2)a, periodic box, pairs with Marcus parameters), e.g. to test time-of-flight methods. Setup as in Chen, van der Hoorn, Baumeier, arXiv:2405.15836.
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
   * - job_name
     - system
     - | Input file name without extension, also used for the default
       | state file name
     - 
   * - statefile
     - OPTIONAL
     - State file to create, if not given job_name.hdf5
     - 
   * - energyfile
     - OPTIONAL
     - Optional ASCII file with positions and site energies
     - 
   * - dims
     - 8 8 8
     - Number of sites along x, y and z
     - 
   * - spacing
     - 1.0
     - Lattice constant a
     - float+
   * - cutoff
     - 1.5
     - | Pairs are created for distances smaller than this (1.5
       | a: 6 nearest and 12 next-nearest neighbours)
     - float+
   * - J2
     - 1.79e-4
     - | Squared coupling J^2 at distance a; J^2(r) = J2 exp(-(r-a)/decaylength)
       | 
     - float+
   * - decaylength
     - 1.0
     - Decay length of J^2
     - float+
   * - reorganization
     - 0.23
     - Reorganization energy of every pair
     - float+
   * - states
     - e h
     - Carrier types for which the parameters are written
     - 
   * - segmentname
     - site
     - Segment type name of the sites
     - 
   * - energy.disorder
     - uncorrelated
     - | none: all equal to mean; uncorrelated: Gaussian iid; correlated:
       | moving average of three Gaussian fields over the l_b and
       | l_c nearest sites
     - | none
       | uncorrelated
       | correlated
   * - energy.mean
     - -0.76
     - Mean site energy
     - float
   * - energy.sigma
     - 0.19
     - Standard deviation of the site energies
     - float+
   * - energy.eta_a
     - 0.2
     - Correlated disorder: weight of the uncorrelated part
     - float+
   * - energy.eta_b
     - 0.4
     - | Correlated disorder: weight of the short-range average
       | (the long-range part has 1-eta_a-eta_b)
     - float+
   * - energy.l_b
     - 9
     - | Correlated disorder: number of neighbours in the short-range
       | average
     - int+
   * - energy.l_c
     - 280
     - | Correlated disorder: number of neighbours in the long-range
       | average
     - int+
   * - energy.includeself
     - true
     - | Correlated disorder: the l_b and l_c sites of the averages
       | include the site itself (Baumeier et al., Phys. Rev. B
       | 86, 184202 (2012)); false: the l_b and l_c nearest other
       | sites (eq. 2.5 of Chen et al., arXiv:2405.15836)
     - bool
   * - energy.seed
     - 1
     - | Seed of the random numbers (the same lattice on every
       | platform)
     - int+
.. note::
   An *xml* file containing the defaults for the `latticegen` calculator can be created via `-p latticegen -o FILENAME` command line options `