pyhande.extract

Extract data from the output of a HANDE calculation.

Note

All pyhande analysis procedures assume data is in the format produced by extract_data() and extract_data_sets().

pyhande.extract.extract_data_sets(filenames)

Extract QMC data tables from multiple HANDE calculations.

Parameters:filenames (list of strings) –

names of files containing HANDE QMC calculation output.

Note

Files compressed with gzip, bzip2 or xz (python 3 only) are automatically decompressed.

Returns:data – Calculation output represented by a tuple for each calculation, consisting of metadata (dict) and a pandas.DataFrame (MC calculations) or pandas.Series (other calculations) containing the calculation output/results. Return type:list of (dict, pandas.DataFrame or pandas.Series)

See also

extract_data()

underlying data extraction implementation.

pyhande.extract.extract_data(filename)

Extract QMC data table from a HANDE calculation.

Parameters:filename (string) –

name of file containing the HANDE QMC calculation output.

Note

Files compressed with gzip, bzip2 or xz (python 3 only) are automatically decompressed.

Returns:data_pairs – Calculation output represented by a tuple for each calculation, consisting of metadata (dict) and a pandas.DataFrame (MC calculations) or pandas.Series (other calculations) containing the calculation output/results. Return type:list of (dict, pandas.DataFrame or pandas.Series)