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) orpandas.Series
(other calculations) containing the calculation output/results.Return type: list of (dict, pandas.DataFrame
orpandas.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) orpandas.Series
(other calculations) containing the calculation output/results.Return type: list of (dict, pandas.DataFrame
orpandas.Series
)