YamboParser

Module that manages the parsing of all the elements of a Yambo computation. This parser analyzes the output files, the ns.db1 database written in the SAVE folder and all the databases created by yambo in the $jobname folder.

class mppi.Parsers.YamboParser.YamboParser(results, verbose=False, extendOut=True)[source]

Bases: object

Class that perform the parsing starting from the results dict built by the YamboCalculator class. In the actual implementation of the class the parser is able to deal with the o- files, the dipoles database, the ndb.RT_G_PAR and the ns.db1 database written in the SAVE folder.

Parameters:

  • results (dict) – The dictionary of the results built by the YamboCalculator class

  • verbose (boolean) – Determine the amount of information provided on terminal

  • extendOut (boolean) – Determine which dictionary is used as reference for the names of the variables in the YamboOutputParser

data

contains the instance of the YamboOutputParser class that manage the parsing of the o-* files

Type:

YamboOutputParser

dipoles

contains the instance of the YamboDipolesParser class that manages the parsing of the dipoles database

Type:

YamboDipolesParser

dft

contains the instance of the YamboDftParser that manages the parsing of the ns.db1 database

Type:

YamboDftParser

qp

contains the instance of the YamboQPParser that manages the parsing of the ndb.QP database

Type:

YamboQPParser

RTCarriers

contains the instance of the YamboRTCarriersParser that manages the parsing of the ndb.RT_carriers database

Type:

YamboRTCarriersParser

RTGreen

contains the instance of the YamboRTGlesserParser that manages the parsing of the ndb.RT_G_PAR database

Type:

YamboRTGlesserParser

classmethod from_path(run_dir, outputPath, dbsPath=None, verbose=True, extendOut=True)[source]

Init the a YamboParser instance using the ‘o-’ files found inside the outputPath, the ns.db1 database in the SAVE folder and the databases found in the dbsPath.

Parameters:

  • run_dir (string) – run_dir folder of the calculation

  • outputPath (string) – folder with the ‘o-’ files

  • dbsPath (list) – list of folders with the ndb databases. If this argument is set to `None’ the databases are sought in the outputPath

  • verbose (boolean) – determine the amount of information provided on terminal

  • extendOut (boolean) – Determine which dictionary is used as reference for the names of the variables in the YamboOutputParser

get_info()[source]

Provide information on the structure of the attributes of the class