use full gga, gga+u, r2scan hull as default thermo type

Author: esoteric-ephemera

mp_api/client/mprester.py

@@ -58,7 +58,7 @@
 
     from mp_api.client.core.client import _DictLikeAccess
 
-DEFAULT_THERMOTYPE_CRITERIA = {"thermo_types": ["GGA_GGA+U"]}
+DEFAULT_THERMOTYPE_CRITERIA = {"thermo_types": ["GGA_GGA+U_R2SCAN"]}
 
 RESTER_LAYOUT = {
     "molecules/core": LazyImport(
@@ -1032,7 +1032,7 @@ def get_entries_in_chemsys(
         compatible_only: bool = True,
         property_data: list[str] | None = None,
         conventional_unit_cell: bool = False,
-        additional_criteria: dict = DEFAULT_THERMOTYPE_CRITERIA,
+        additional_criteria: dict | None = None,
         **kwargs,
     ) -> list[ComputedStructureEntry] | list[GibbsComputedStructureEntry]:
         """Helper method to get a list of ComputedEntries in a chemical system.
@@ -1091,6 +1091,17 @@ def get_entries_in_chemsys(
             for els in itertools.combinations(elements_set, i + 1)
         ]
 
+        if additional_criteria is None:
+            warnings.warn(
+                "The default thermo type in retrieving entries has been changed from "
+                "the mixed/corrected PBE GGA and GGA+U hull (`thermo_type = GGA_GGA+U`) "
+                "to the joint PBE GGA / GGA+U / r2SCAN hull (`thermo_type = GGA_GGA+U_R2SCAN`). "
+                "To use the older behavior, call `get_entries_in_chemsys` with "
+                '`additional_criteria = {"thermo_types": ["GGA_GGA+U"]}`',
+                category=MPRestWarning,
+                stacklevel=2,
+            )
+
         entries = self.get_entries(
             all_chemsyses,
             compatible_only=compatible_only,