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Clarify top level get_entries method #848

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Merged
merged 2 commits into from
Sep 27, 2023
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Clarify top level get_entries method #848

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Clarify top level get_entries method
munrojm Sep 27, 2023
965b56a
Linting
munrojm Sep 27, 2023
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14 changes: 9 additions & 5 deletions mp_api/client/mprester.py
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Original file line number Diff line number Diff line change
Expand Up @@ -658,10 +658,10 @@ def get_entries(
additional_criteria: dict = None,
) -> list[ComputedStructureEntry]:
"""Get a list of ComputedEntries or ComputedStructureEntries corresponding
to a chemical system or formula.

Note that by default this returns mixed GGA/GGA+U entries. For others,
pass GGA/GGA+U/R2SCAN, or R2SCAN as thermo_types in additional_criteria.
to a chemical system or formula. This returns entries for all thermo types
represented in the database. Each type corresponds to a different mixing scheme
(i.e. GGA/GGA+U, GGA/GGA+U/R2SCAN, R2SCAN). By default the thermo_type of the
entry is also returned.

Args:
chemsys_formula_mpids (str, List[str]): A chemical system, list of chemical systems
Expand Down Expand Up @@ -717,7 +717,11 @@ def get_entries(

entries = []

fields = ["entries"] if not property_data else ["entries"] + property_data
fields = (
["entries", "thermo_type"]
if not property_data
else ["entries", "thermo_type"] + property_data
)

if sort_by_e_above_hull:
docs = self.thermo.search(
Expand Down