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.
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_directorydelete_snlget_all_substratesget_cohesive_energyget_dataget_docget_download_infoget_exp_entriesget_exp_thermo_dataget_interface_reactionsget_phonon_ddb_by_material_idget_reactionget_stabilitysubmit_vasp_directorysubmit_snlquery_snlparse_criteriaMajor changes:
queryreplaced withMPRester.summary.search. No MongoDB-like query language support anymore.get_gb_datareplaced withMPRester.grain_boundary.searchget_substratesreplaced withMPRester.substrates.searchget_surface_datareplaced withMPRester.surface_properties.searchget_task_datareplaced withMPRester.tasks.searchget_xas_datareplaced withMPRester.xas.searchget_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_atwithpublic_name,public_email.