scipy/std scipy/std

scipy/std scipy/std#

Description#

The present pluginis based on the python package plugin. Therein, the function scipy.optimze.minimize is used. See details on the function here

For the L-BFGS-B algorithm, it is possible to set boundaries for the control variables to optimize. This is set with the following arguments:

  • use_boundaries: True in the control vector paragraph

  • lower_bound and/or upper_bound in the data vector paragraphs associated with each control variables

YAML arguments#

The following arguments are used to configure the plugin. pyCIF will return an exception at the initialization if mandatory arguments are not specified, or if any argument does not fit accepted values or type:

Mandatory arguments#

method : str, mandatory

Type of solver.

Optional arguments#

maxiter : int, optional

Maximum number of iterations

maxfun : int, optional

Maximum number of function evaluation

epsg : float, optional

Condition on the norm of the gradient. Converges if ||g||_k < epsg . ||g||_0

Requirements#

The current plugin requires the present plugins to run properly:

Requirement name

Requirement type

Explicit definition

Any valid

Default name

Default version

simulator

Simulator

True

True

gausscost

std

YAML template#

Please find below a template for a YAML configuration:

 1minimizer:
 2  plugin:
 3    name: scipy
 4    version: std
 5    type: minimizer
 6
 7  # Mandatory arguments
 8  method: XXXXX  # str
 9
10  # Optional arguments
11  maxiter: XXXXX  # int
12  maxfun: XXXXX  # int
13  epsg: XXXXX  # float
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