Commit 487cceae authored by temok-mx's avatar temok-mx
Browse files

Merge branch 'nomad-fair' of https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-meta-info into nomad-fair

parents b5198c85 b50054a1
......@@ -873,17 +873,6 @@
"x_fhi_aims_controlInOut_method",
"settings_XC_functional"
]
}, {
"description": "Density of states (DOS) energies",
"dtypeStr": "f",
"name": "x_fhi_aims_dos_energies",
"shape": [
"x_fhi_aims_n_dos_values"
],
"superNames": [
"x_fhi_aims_section_dos"
],
"units": "J"
}, {
"description": "-",
"dtypeStr": "f",
......@@ -894,17 +883,6 @@
"section_dos"
],
"units": "J"
}, {
"description": "Reference to the single configuration calculation where the dos belongs to",
"dtypeStr": "r",
"name": "x_fhi_aims_dos_to_single_configuration_ref",
"referencedSections": [
"section_single_configuration_calculation"
],
"shape": [],
"superNames": [
"x_fhi_aims_section_dos"
]
}, {
"description": "-",
"dtypeStr": "C",
......@@ -914,17 +892,6 @@
"superNames": [
"section_dos"
]
}, {
"description": "Density of states (DOS) values",
"dtypeStr": "f",
"name": "x_fhi_aims_dos_values",
"shape": [
"number_of_spin_channels",
"x_fhi_aims_n_dos_values"
],
"superNames": [
"x_fhi_aims_section_dos"
]
}, {
"description": "Correlation energy at a given eigenstate from perturbative GW",
"dtypeStr": "f",
......@@ -1255,15 +1222,6 @@
"superNames": [
"x_fhi_aims_section_vdW_TS"
]
}, {
"description": "number of energy values for the density of states (DOS)",
"dtypeStr": "i",
"kindStr": "type_dimension",
"name": "x_fhi_aims_n_dos_values",
"shape": [],
"superNames": [
"x_fhi_aims_section_dos"
]
}, {
"description": "-",
"dtypeStr": "C",
......@@ -1431,14 +1389,6 @@
"superNames": [
"x_fhi_aims_section_controlInOut_atom_species"
]
}, {
"description": "Section collecting the information on a density of states (DOS) evaluation. We need this extra section since we have to ensure that the parsed dos belongs to the last relaxation/MD step. We know this for sure only if section_run is closed. Therefore, this section belongs to section_run.",
"kindStr": "type_section",
"name": "x_fhi_aims_section_dos",
"repeats": true,
"superNames": [
"section_run"
]
}, {
"description": "section for full list of eigenvalues for different spin and kpoints from a perturbative GW calculation",
"kindStr": "type_section",
......
......@@ -2888,15 +2888,15 @@
"section_prototype"
]
}, {
"description": "Method used to identify the prototype",
"description": "Method used to identify the prototype.",
"dtypeStr": "C",
"name": "prototype_assignement_method",
"name": "prototype_assignment_method",
"shape": [],
"superNames": [
"section_prototype"
],
"values": {
"normalized-wyckoff": "normalized wyckoff positions and spacegroups calculated with the default symmetry method were used to identify the prototype"
"normalized-wyckoff": "Normalized wyckoff positions and spacegroups calculated with the default symmetry method were used to identify the prototype."
}
}, {
"description": "Label of the prototype identified on the basis of the space_group and normalized_wyckoff. The label is in the same format as in the read_prototypes function: <space_group_number>-<prototype_name>-<Pearson's symbol>).",
......
......@@ -3499,17 +3499,17 @@
"meta_parent_section":"section_prototype",
"meta_data_type":"string"
},{
"meta_name":"prototype_assignement_method",
"meta_name":"prototype_assignment_method",
"meta_type":"type-value",
"meta_description":"Method used to identify the prototype",
"meta_description":"Method used to identify the prototype.",
"meta_parent_section":"section_prototype",
"meta_data_type":"string",
"meta_enum":[{
"meta_enum_value":"normalized-wyckoff",
"meta_enum_description":[
"normalized wyckoff positions and spacegroups calculated with the default ",
"Normalized wyckoff positions and spacegroups calculated with the default ",
"symmetry method were used to identify the ",
"prototype"]
"prototype."]
}]
},{
"meta_name":"prototype_label",
......@@ -6497,4 +6497,4 @@
"meta_parent_section":"section_single_configuration_calculation",
"meta_data_type":"string"
}]
}
\ No newline at end of file
}
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