Commit eb895902 authored by Franz Knuth's avatar Franz Knuth
Browse files

fhi_aims: added 'repeats true' to metadata

parent f8966b57
......@@ -10,6 +10,7 @@
"description": "-",
"dtypeStr": "f",
"name": "fhi_aims_controlIn_charge",
"repeats": true,
"shape": [],
"superNames": [
"fhi_aims_controlIn_method"
......@@ -18,6 +19,7 @@
"description": "-",
"dtypeStr": "f",
"name": "fhi_aims_controlIn_hse_omega",
"repeats": true,
"shape": [],
"superNames": [
"fhi_aims_controlIn_method",
......@@ -27,6 +29,7 @@
"description": "-",
"dtypeStr": "C",
"name": "fhi_aims_controlIn_hse_unit",
"repeats": true,
"shape": [],
"superNames": [
"fhi_aims_controlIn_method",
......@@ -36,6 +39,7 @@
"description": "-",
"dtypeStr": "i",
"name": "fhi_aims_controlIn_k1",
"repeats": true,
"shape": [],
"superNames": [
"fhi_aims_controlIn_method"
......@@ -44,6 +48,7 @@
"description": "-",
"dtypeStr": "i",
"name": "fhi_aims_controlIn_k2",
"repeats": true,
"shape": [],
"superNames": [
"fhi_aims_controlIn_method"
......@@ -52,6 +57,7 @@
"description": "-",
"dtypeStr": "i",
"name": "fhi_aims_controlIn_k3",
"repeats": true,
"shape": [],
"superNames": [
"fhi_aims_controlIn_method"
......@@ -70,6 +76,7 @@
"description": "-",
"dtypeStr": "f",
"name": "fhi_aims_controlIn_MD_time_step",
"repeats": true,
"shape": [],
"superNames": [
"fhi_aims_controlIn_run"
......@@ -86,6 +93,7 @@
"description": "-",
"dtypeStr": "i",
"name": "fhi_aims_controlIn_occupation_order",
"repeats": true,
"shape": [],
"superNames": [
"fhi_aims_controlIn_method"
......@@ -94,6 +102,7 @@
"description": "-",
"dtypeStr": "C",
"name": "fhi_aims_controlIn_occupation_type",
"repeats": true,
"shape": [],
"superNames": [
"fhi_aims_controlIn_method"
......@@ -102,6 +111,7 @@
"description": "-",
"dtypeStr": "f",
"name": "fhi_aims_controlIn_occupation_width",
"repeats": true,
"shape": [],
"superNames": [
"fhi_aims_controlIn_method"
......@@ -110,6 +120,7 @@
"description": "-",
"dtypeStr": "C",
"name": "fhi_aims_controlIn_override_relativity",
"repeats": true,
"shape": [],
"superNames": [
"settings_relativity",
......@@ -119,6 +130,7 @@
"description": "-",
"dtypeStr": "f",
"name": "fhi_aims_controlIn_relativistic_threshold",
"repeats": true,
"shape": [],
"superNames": [
"settings_relativity",
......@@ -128,6 +140,7 @@
"description": "-",
"dtypeStr": "C",
"name": "fhi_aims_controlIn_relativistic",
"repeats": true,
"shape": [],
"superNames": [
"settings_relativity",
......@@ -144,6 +157,7 @@
"description": "-",
"dtypeStr": "f",
"name": "fhi_aims_controlIn_sc_accuracy_eev",
"repeats": true,
"shape": [],
"superNames": [
"fhi_aims_controlIn_method"
......@@ -152,6 +166,7 @@
"description": "-",
"dtypeStr": "f",
"name": "fhi_aims_controlIn_sc_accuracy_etot",
"repeats": true,
"shape": [],
"superNames": [
"fhi_aims_controlIn_method"
......@@ -160,6 +175,7 @@
"description": "-",
"dtypeStr": "f",
"name": "fhi_aims_controlIn_sc_accuracy_forces",
"repeats": true,
"shape": [],
"superNames": [
"fhi_aims_controlIn_method"
......@@ -168,6 +184,7 @@
"description": "-",
"dtypeStr": "f",
"name": "fhi_aims_controlIn_sc_accuracy_rho",
"repeats": true,
"shape": [],
"superNames": [
"fhi_aims_controlIn_method"
......@@ -176,6 +193,7 @@
"description": "-",
"dtypeStr": "f",
"name": "fhi_aims_controlIn_sc_accuracy_stress",
"repeats": true,
"shape": [],
"superNames": [
"fhi_aims_controlIn_method"
......@@ -184,6 +202,7 @@
"description": "-",
"dtypeStr": "i",
"name": "fhi_aims_controlIn_sc_iter_limit",
"repeats": true,
"shape": [],
"superNames": [
"fhi_aims_controlIn_method"
......@@ -192,6 +211,7 @@
"description": "-",
"dtypeStr": "C",
"name": "fhi_aims_controlIn_spin",
"repeats": true,
"shape": [],
"superNames": [
"fhi_aims_controlIn_method"
......@@ -200,6 +220,7 @@
"description": "-",
"dtypeStr": "C",
"name": "fhi_aims_controlIn_xc",
"repeats": true,
"shape": [],
"superNames": [
"fhi_aims_controlIn_method",
......@@ -209,6 +230,7 @@
"description": "-",
"dtypeStr": "f",
"name": "fhi_aims_controlInOut_hse_omega",
"repeats": true,
"shape": [],
"superNames": [
"fhi_aims_controlInOut_method",
......@@ -218,6 +240,7 @@
"description": "-",
"dtypeStr": "C",
"name": "fhi_aims_controlInOut_hse_unit",
"repeats": true,
"shape": [],
"superNames": [
"fhi_aims_controlInOut_method",
......@@ -227,6 +250,7 @@
"description": "-",
"dtypeStr": "i",
"name": "fhi_aims_controlInOut_k1",
"repeats": true,
"shape": [],
"superNames": [
"fhi_aims_controlInOut_method"
......@@ -235,6 +259,7 @@
"description": "-",
"dtypeStr": "i",
"name": "fhi_aims_controlInOut_k2",
"repeats": true,
"shape": [],
"superNames": [
"fhi_aims_controlInOut_method"
......@@ -243,6 +268,7 @@
"description": "-",
"dtypeStr": "i",
"name": "fhi_aims_controlInOut_k3",
"repeats": true,
"shape": [],
"superNames": [
"fhi_aims_controlInOut_method"
......@@ -261,6 +287,7 @@
"description": "-",
"dtypeStr": "f",
"name": "fhi_aims_controlInOut_MD_time_step",
"repeats": true,
"shape": [],
"superNames": [
"fhi_aims_controlInOut_run"
......@@ -277,6 +304,7 @@
"description": "-",
"dtypeStr": "C",
"name": "fhi_aims_controlInOut_override_relativity",
"repeats": true,
"shape": [],
"superNames": [
"fhi_aims_controlInOut_method",
......@@ -286,6 +314,7 @@
"description": "-",
"dtypeStr": "f",
"name": "fhi_aims_controlInOut_relativistic_threshold",
"repeats": true,
"shape": [],
"superNames": [
"settings_relativity",
......@@ -295,6 +324,7 @@
"description": "-",
"dtypeStr": "C",
"name": "fhi_aims_controlInOut_relativistic",
"repeats": true,
"shape": [],
"superNames": [
"settings_relativity",
......@@ -311,6 +341,7 @@
"description": "-",
"dtypeStr": "C",
"name": "fhi_aims_controlInOut_xc",
"repeats": true,
"shape": [],
"superNames": [
"fhi_aims_controlInOut_method",
......@@ -320,6 +351,7 @@
"description": "Single eigenvalue of scaled ZORA",
"dtypeStr": "f",
"name": "fhi_aims_eigenvalue_eigenvalue_ZORA",
"repeats": true,
"shape": [],
"superNames": [
"fhi_aims_section_eigenvalues_list_ZORA"
......@@ -329,6 +361,7 @@
"description": "Single eigenvalue",
"dtypeStr": "f",
"name": "fhi_aims_eigenvalue_eigenvalue",
"repeats": true,
"shape": [],
"superNames": [
"fhi_aims_section_eigenvalues_list"
......@@ -338,6 +371,7 @@
"description": "Component 1 of kpoints on which the eigenvalues were evaluated of scaled ZORA",
"dtypeStr": "f",
"name": "fhi_aims_eigenvalue_kpoint1_ZORA",
"repeats": true,
"shape": [],
"superNames": [
"fhi_aims_section_eigenvalues_spin_ZORA"
......@@ -346,6 +380,7 @@
"description": "Component 1 of kpoints on which the eigenvalues were evaluated",
"dtypeStr": "f",
"name": "fhi_aims_eigenvalue_kpoint1",
"repeats": true,
"shape": [],
"superNames": [
"fhi_aims_section_eigenvalues_spin"
......@@ -354,6 +389,7 @@
"description": "Component 2 of kpoints on which the eigenvalues were evaluated of scaled ZORA",
"dtypeStr": "f",
"name": "fhi_aims_eigenvalue_kpoint2_ZORA",
"repeats": true,
"shape": [],
"superNames": [
"fhi_aims_section_eigenvalues_spin_ZORA"
......@@ -362,6 +398,7 @@
"description": "Component 2 of kpoints on which the eigenvalues were evaluated",
"dtypeStr": "f",
"name": "fhi_aims_eigenvalue_kpoint2",
"repeats": true,
"shape": [],
"superNames": [
"fhi_aims_section_eigenvalues_spin"
......@@ -370,6 +407,7 @@
"description": "Component 3 of kpoints on which the eigenvalues were evaluated of scaled ZORA",
"dtypeStr": "f",
"name": "fhi_aims_eigenvalue_kpoint3_ZORA",
"repeats": true,
"shape": [],
"superNames": [
"fhi_aims_section_eigenvalues_spin_ZORA"
......@@ -378,6 +416,7 @@
"description": "Component 3 of kpoints on which the eigenvalues were evaluated",
"dtypeStr": "f",
"name": "fhi_aims_eigenvalue_kpoint3",
"repeats": true,
"shape": [],
"superNames": [
"fhi_aims_section_eigenvalues_spin"
......@@ -386,6 +425,7 @@
"description": "Occupation of single eigenfunction of scaled ZORA",
"dtypeStr": "f",
"name": "fhi_aims_eigenvalue_occupation_ZORA",
"repeats": true,
"shape": [],
"superNames": [
"fhi_aims_section_eigenvalues_list_ZORA"
......@@ -394,6 +434,7 @@
"description": "Occupation of single eigenfunction",
"dtypeStr": "f",
"name": "fhi_aims_eigenvalue_occupation",
"repeats": true,
"shape": [],
"superNames": [
"fhi_aims_section_eigenvalues_list"
......@@ -433,6 +474,7 @@
"description": "labels of atom",
"dtypeStr": "C",
"name": "fhi_aims_geometry_atom_label",
"repeats": true,
"shape": [],
"superNames": [
"section_system_description"
......@@ -441,6 +483,7 @@
"description": "x component of atomic position",
"dtypeStr": "f",
"name": "fhi_aims_geometry_atom_position_x",
"repeats": true,
"shape": [],
"superNames": [
"section_system_description"
......@@ -450,6 +493,7 @@
"description": "y component of atomic position",
"dtypeStr": "f",
"name": "fhi_aims_geometry_atom_position_y",
"repeats": true,
"shape": [],
"superNames": [
"section_system_description"
......@@ -459,6 +503,7 @@
"description": "z component of atomic position",
"dtypeStr": "f",
"name": "fhi_aims_geometry_atom_position_z",
"repeats": true,
"shape": [],
"superNames": [
"section_system_description"
......@@ -468,6 +513,7 @@
"description": "x component of lattice vector",
"dtypeStr": "f",
"name": "fhi_aims_geometry_lattice_vector_x",
"repeats": true,
"shape": [],
"superNames": [
"section_system_description"
......@@ -477,6 +523,7 @@
"description": "y component of lattice vector",
"dtypeStr": "f",
"name": "fhi_aims_geometry_lattice_vector_y",
"repeats": true,
"shape": [],
"superNames": [
"section_system_description"
......@@ -486,6 +533,7 @@
"description": "z component of lattice vector",
"dtypeStr": "f",
"name": "fhi_aims_geometry_lattice_vector_z",
"repeats": true,
"shape": [],
"superNames": [
"section_system_description"
......@@ -495,6 +543,7 @@
"description": "-",
"dtypeStr": "C",
"name": "fhi_aims_MD_flag",
"repeats": true,
"shape": [],
"superNames": [
"fhi_aims_controlIn_method"
......@@ -599,6 +648,7 @@
"description": "section for one list of eigenvalues at specific kpoint and spin of scaled ZORA",
"kindStr": "type_section",
"name": "fhi_aims_section_eigenvalues_list_ZORA",
"repeats": true,
"superNames": [
"fhi_aims_section_eigenvalues_spin_ZORA"
]
......@@ -606,6 +656,7 @@
"description": "section for one list of eigenvalues at specific kpoint and spin",
"kindStr": "type_section",
"name": "fhi_aims_section_eigenvalues_list",
"repeats": true,
"superNames": [
"fhi_aims_section_eigenvalues_spin"
]
......@@ -613,6 +664,7 @@
"description": "section for one spin orientation of scaled ZORA",
"kindStr": "type_section",
"name": "fhi_aims_section_eigenvalues_spin_ZORA",
"repeats": true,
"superNames": [
"fhi_aims_section_eigenvalues_group_ZORA"
]
......@@ -620,6 +672,7 @@
"description": "section for one spin orientation",
"kindStr": "type_section",
"name": "fhi_aims_section_eigenvalues_spin",
"repeats": true,
"superNames": [
"fhi_aims_section_eigenvalues_group"
]
......@@ -634,6 +687,7 @@
"description": "-",
"kindStr": "type_section",
"name": "fhi_aims_section_parallel_task_assignement",
"repeats": true,
"superNames": [
"fhi_aims_section_parallel_tasks"
]
......
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