@@ -783,22 +783,17 @@ def get_entries(
783783
784784 def get_pourbaix_entries (
785785 self ,
786- chemsys : str | list [ str ] | list [ ComputedEntry | ComputedStructureEntry ] ,
786+ chemsys : str | list ,
787787 solid_compat = "MaterialsProject2020Compatibility" ,
788788 use_gibbs : Literal [300 ] | None = None ,
789789 ):
790790 """A helper function to get all entries necessary to generate
791791 a Pourbaix diagram from the rest interface.
792792
793793 Args:
794- chemsys (str or [str] or Computed(Structure)Entry):
795- Chemical system string comprising element
794+ chemsys (str or [str]): Chemical system string comprising element
796795 symbols separated by dashes, e.g., "Li-Fe-O" or List of element
797796 symbols, e.g., ["Li", "Fe", "O"].
798-
799- Can also be a list of Computed(Structure)Entry objects to allow
800- for adding extra calculation data to the Pourbaix Diagram.
801- If this is set, the chemsys will be inferred from the entries.
802797 solid_compat: Compatibility scheme used to pre-process solid DFT energies prior
803798 to applying aqueous energy adjustments. May be passed as a class (e.g.
804799 MaterialsProject2020Compatibility) or an instance
@@ -821,27 +816,6 @@ def get_pourbaix_entries(
821816 )
822817 from pymatgen .entries .computed_entries import ComputedEntry
823818
824- thermo_types = ["GGA_GGA+U" ]
825- user_entries : list [ComputedEntry | ComputedStructureEntry ] = []
826- if isinstance (chemsys , list ) and all (
827- isinstance (v , ComputedEntry | ComputedStructureEntry ) for v in chemsys
828- ):
829- user_entries = [ce .copy () for ce in chemsys ]
830-
831- elements = set ()
832- for entry in user_entries :
833- elements .update (entry .elements )
834- chemsys = [ele .name for ele in elements ]
835-
836- user_run_types = set (
837- [
838- entry .parameters .get ("run_type" , "unknown" ).lower ()
839- for entry in user_entries
840- ]
841- )
842- if any ("r2scan" in rt for rt in user_run_types ):
843- thermo_types = ["GGA_GGA+U_R2SCAN" ]
844-
845819 if solid_compat == "MaterialsProjectCompatibility" :
846820 solid_compat = MaterialsProjectCompatibility ()
847821 elif solid_compat == "MaterialsProject2020Compatibility" :
@@ -877,13 +851,9 @@ def get_pourbaix_entries(
877851 # TODO - would be great if the commented line below would work
878852 # However for some reason you cannot process GibbsComputedStructureEntry with
879853 # MaterialsProjectAqueousCompatibility
880- ion_ref_entries = (
881- self .get_entries_in_chemsys (
882- list ([str (e ) for e in ion_ref_elts ] + ["O" , "H" ]),
883- additional_criteria = {"thermo_types" : thermo_types }
884- # use_gibbs=use_gibbs
885- )
886- + user_entries
854+ ion_ref_entries = self .get_entries_in_chemsys (
855+ list ([str (e ) for e in ion_ref_elts ] + ["O" , "H" ]),
856+ # use_gibbs=use_gibbs
887857 )
888858
889859 # suppress the warning about supplying the required energies; they will be calculated from the
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