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Parity with legacy MPRester convenience functions #676

Description

@munrojm

This issue is to discuss what necessary parity should exist between the new and legacy MPRester top level convenience functions (e.g. MPRester.get_entries_in_chemsys).

Below is list of current breaking differences going from legacy to new.

Missing:

  • submit_vasp_directory
  • delete_snl
  • get_all_substrates
  • get_cohesive_energy
  • get_data
  • get_doc
  • get_download_info
  • get_exp_entries
  • get_exp_thermo_data
  • get_interface_reactions
  • get_phonon_ddb_by_material_id
  • get_reaction
  • get_stability
  • submit_vasp_directory
  • submit_snl
  • query_snl
  • parse_criteria

Major changes:

  • query replaced with MPRester.summary.search. No MongoDB-like query language support anymore.

  • get_gb_data replaced with MPRester.grain_boundary.search

  • get_substrates replaced with MPRester.substrates.search

  • get_surface_data replaced with MPRester.surface_properties.search

  • get_task_data replaced with MPRester.tasks.search

  • get_xas_data replaced with MPRester.xas.search

  • get_entries:
    Removed args compatible_only, inc_structure, property_data, conventional_unit_cell.

  • get_entries_in_chemsys:
    Removed args compatible_only, inc_structure, property_data, conventional_unit_cell, additional_criteria.

  • get_entry_by_material_id:
    Removed args compatible_only, inc_structure, property_data, conventional_unit_cell.

  • submit_structures:
    Replaced args authors, projects, references, remarks, data, histories, created_at with public_name, public_email.

Activity

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