.. SpM documentation master file, created by
   sphinx-quickstart on Thu Aug 10 10:08:31 2017.
   You can adapt this file completely to your liking, but it should at least
   contain the root `toctree` directive.

.. _inputfiles:

Input files
===============================
1. Parameter file (param.in)

  - The format of the parameter file is the "name = value" pair format.

  - ``#`` means a comment. In other words, a ``#`` character and the subsequent part in a line will be ignored.

  - A blank line is skipped.
    
  - The variables for which default value is not given are mandatory.

.. code-block::

   # character means comment

   statistics = "fermion"  # stats.
   beta = 100.0            # inv. temp.

   ### continued ###


* INPUT/OUTPUT

  .. csv-table::
     :header-rows: 1
     :widths: 1,1,2,4

     Name,          Type,    Default value, Description
     statistics,    String,  ---,           Choose "fermion" or "boson".
     beta,          Double,  ---,           The inverse temperature
     filein_G,      String,  Gtau.in,       The name of an input file for Green's function.
     column,        Integer, 1,             The column number where the values of G(tau) are stored in the ``filein_G file``.
     fileout_spec,  String,  spectrum.out,  The name of output file of spectrum.
     fileout_pade,  String,  pade.out,      The name of output file of spectrum calculated by the Pade approximant.

     
* OMEGA

  .. csv-table::
     :header-rows: 1
     :widths: 1,1,2,4

     Name, Type, Default value, Description
     NOmega, Integer, 1001, The number of omega to be calculated.
     omegamin, Double, -4, The minimum value of omega.
     omegamax, Double, 4, The maximum value of omega.

  Note: The i-th omega where i=[0:Nomega) is given by
  :math:`\verb|omega|[i]=\verb|omegamin|+(\verb|omegamax|-\verb|omegamin|)/(\verb|NOmega|-1) * i`.

* SVD

  .. csv-table::
     :header-rows: 1
     :widths: 1,1,2,4

     Name, Type, Default value, Description
     SVmin, Double, 1e-10, Truncation value of singular values.

     
* ADMM

  .. csv-table::
     :header-rows: 1
     :widths: 1,1,2,4

     Name, Type, Default value, Description
     lambdalogmesh, Double, 0.2, The log mesh of lambda.
     lambdalogbegin, Double, 0, The log value of maximum lambda. lambda_max is given by :math:`10^{\verb|lambdalogbegin|}`.
     lambdalogend, Double, -1, The log value of minimum lambda. lambda_min is given by :math:`10^{\verb|lambdalogend|}`
     Nlambda, Integer, ---,  The number of lambda to be calculated.
     penalty, Double, 10.0, "The value of penalty coefficient. If negative, penalty is optimized during the iteration starting with its absolute value."
     tolerance, Double, 1e-6, The criteria of convergence.
     maxiteration, Integer,1000,	The maximum number of iterations.
     printlevel, Integer,2,	"0; minimum, 1; moderate, 2; verbose."

* SpM-Pade

  .. csv-table::
     :header-rows: 1
     :widths: 1,1,2,4

     Name, Type, Default value, Description
     PadeEta, Double, 0.0, The weight of the spectrum by the Pade approximant.
     filein_Gsigma, String,  Gtau.in,       The name of input file for errors of Green's function.
     column_sigma,  Integer, 1,             The column number where the errors of G(tau) are stored in the ``filein_Gsigma`` file.
     g_sigma,       Double,  inf,           "The errors of G(tau). If this is inf (default value), the errors will be loaded from a file specified by ``filein_Gsigma``."
     NSamplePade, Integer, 30, The number of random samples (with noise) will be used to calculate the expected value and the standard deviation  of the spectrum by the Pade approximant.

2. Green's function (Gtau.in)

   In SPM, the values of Green's function is only used for calculation,
   i.e. tau is automatically determined by the beta and the step.
   Please indicate the column number where the values of G(tau) are
   stored by "column" in the parameter file.