cascade changes

parent 43f7d517
......@@ -142,6 +142,14 @@
"meta_enum_value":"string",
"meta_enum_description":"A string of unicode characters"
}]
},{
"meta_name":"meta_default_value",
"meta_type":"type-value",
"meta_description":[
"String giving the default value that should be assumed if no value is ",
"given"],
"meta_parent_section":"meta_info_entry",
"meta_data_type":"json"
},{
"meta_name":"meta_description",
"meta_type":"type-value",
......
......@@ -68,6 +68,11 @@
"reference":"An internal reference. This contains the index of the referenced meta_referenced_sections. For references to other documents a string with a nomad uri should be used.",
"string":"A string of unicode characters"
}
},{
"name":"meta_default_value",
"description":"String giving the default value that should be assumed if no value is given",
"superNames":["meta_info_entry"],
"dtypeStr":"D"
},{
"name":"meta_description",
"description":"Contains a text meant for the users of the meta info, using [mark down format](https://daringfireball.net/markdown) with the following extensions:\n * \\$ is used to introduce mathematical notation using the latex format,\n * names containing an ``\\_'' are assumed to refer to other meta info.",
......
......@@ -2,7 +2,8 @@
"meta_name":"meta_default_value",
"meta_type":"type-value",
"meta_description":[
"String giving the default value that should be assumed if no value is given"],
"String giving the default value that should be assumed if no value is ",
"given"],
"meta_parent_section":"meta_info_entry",
"meta_data_type":"json",
"meta_data_type":"json"
}
......@@ -2,9 +2,10 @@
"meta_name":"atom_forces",
"meta_type":"type-value",
"meta_description":[
"Forces acting on the atoms, calculated as minus gradient of atom_forces_quantity, ",
"with the constraints as describe by atom_forces_constraints. The derivatives with respect to ",
"displacements of nuclei are evaluated in Cartesian coordinates."],
"Forces acting on the atoms, calculated as minus gradient of ",
"atom_forces_quantity, with the constraints as describe by ",
"atom_forces_constraints. The derivatives with respect to displacements of ",
"nuclei are evaluated in Cartesian coordinates."],
"meta_parent_section":"section_atom_forces",
"meta_abstract_types":[
"force_type"],
......
......@@ -2,28 +2,30 @@
"meta_name":"atom_forces_constraints",
"meta_type":"type-value",
"meta_description":[
"Specifies the treatement of the component of the forces along constraints in atomic_forces."],
"Specifies the treatement of the component of the forces along constraints in ",
"atomic_forces."],
"meta_parent_section":"section_atom_forces",
"meta_data_type":"string",
"meta_default_value":"undefined"
"meta_enum":[{
"meta_enum_value":"clean",
"meta_enum_description":[
"The component of the forces along the constraints is removed."]
"The component of the forces along the constraints is ",
"removed."]
},{
"meta_enum_value":"center-of-mass",
"meta_enum_description":[
"The constraint along the center of mass are removed: translations, and if non periodic also rotations."
]
"The constraint along the center of mass are removed: translations, and if non ",
"periodic also rotations."]
},{
"meta_enum_value":"undefined",
"meta_enum_description":[
"The components of the force along constraints can be anything, no assumption should be done."
]
"The components of the force along constraints can be anything, no assumption ",
"should be done."]
},{
"meta_enum_value":"raw",
"meta_enum_description":[
"The forces are exactly minus the gradient of atom_forces_quantity, constraints are not considered."
]
}]
"The forces are exactly minus the gradient of atom_forces_quantity, constraints ",
"are not considered."]
}],
"meta_default_value":"undefined"
}
......@@ -2,19 +2,16 @@
"meta_name":"atom_forces_quantity",
"meta_type":"type-value",
"meta_description":[
"String giving the name of the energy quantity. The forces in atom_forces are minus the gradient of the quantity specified."],
"String giving the name of the energy quantity. The forces in atom_forces are ",
"minus the gradient of the quantity specified."],
"meta_parent_section":"section_atom_forces",
"meta_data_type":"string",
"meta_default_value": "energy_total",
"meta_enum":[{
"meta_enum_value":"energy_total",
"meta_enum_description":[
"The total potential energy energy_total."
]
"meta_enum_description":"The total potential energy energy_total."
},{
"meta_enum_value":"energy_free",
"meta_enum_description":[
"The free energy energy_free."
]
}]
"meta_enum_description":"The free energy energy_free."
}],
"meta_default_value":"energy_total"
}
......@@ -2,5 +2,6 @@
"meta_name":"force_type",
"meta_type":"type-abstract",
"meta_description":[
"Type used to describe quantities that are some kind of force (i.e., minus derivatives of an energy_type)."]
"Type used to describe quantities that are some kind of force (i.e., minus ",
"derivatives of an energy_type)."]
}
......@@ -2,8 +2,8 @@
"meta_name":"frame_sequence_conserved_quantity_stats",
"meta_type":"type-value",
"meta_description":[
"Average value of energy-like conserved_quantity, its ",
"standard deviation, and number of samples over this sequence of frames."],
"Average value of energy-like conserved_quantity, its standard deviation, and ",
"number of samples over this sequence of frames."],
"meta_parent_section":"section_frame_sequence",
"meta_abstract_types":[
"derived_quantity"],
......
......@@ -2,7 +2,8 @@
"meta_name":"frame_sequence_kinetic_energy_stats",
"meta_type":"type-value",
"meta_description":[
"Average kinetic energy, its standard deviation and number of samples over this sequence of frames."],
"Average kinetic energy, its standard deviation and number of samples over this ",
"sequence of frames."],
"meta_parent_section":"section_frame_sequence",
"meta_abstract_types":[
"derived_quantity"],
......
......@@ -2,8 +2,8 @@
"meta_name":"frame_sequence_potential_energy_stats",
"meta_type":"type-value",
"meta_description":[
"Average potential energy, its standard deviation and number of samples over this sequence of ",
"frames."],
"Average potential energy, its standard deviation and number of samples over ",
"this sequence of frames."],
"meta_parent_section":"section_frame_sequence",
"meta_abstract_types":[
"derived_quantity"],
......
......@@ -3,8 +3,8 @@
"meta_type":"type-value",
"meta_description":[
"Average pressure (one third of the trace of the stress tensor), standard ",
"deviation and number of samples over this sequence of frames (i.e., a trajectory, a frame is one ",
"section_single_configuration_calculation)."],
"deviation and number of samples over this sequence of frames (i.e., a ",
"trajectory, a frame is one section_single_configuration_calculation)."],
"meta_parent_section":"section_frame_sequence",
"meta_abstract_types":[
"derived_quantity"],
......
......@@ -2,7 +2,8 @@
"meta_name":"frame_sequence_temperature_stats",
"meta_type":"type-value",
"meta_description":[
"Average temperature, its standard deviation and number for samples over this sequence of frames ."],
"Average temperature, its standard deviation and number for samples over this ",
"sequence of frames ."],
"meta_parent_section":"section_frame_sequence",
"meta_abstract_types":[
"derived_quantity"],
......
......@@ -2,7 +2,8 @@
"meta_name":"number_of_user_quantity_components",
"meta_type":"type-dimension",
"meta_description":[
"Gives the number of components of user-defined quantity stored in user_defined_quantity. It should be the value defined in ",
"Gives the number of components of user-defined quantity stored in ",
"user_defined_quantity. It should be the value defined in ",
"user_quantity_components of user_quantity_definition_ref."],
"meta_parent_section":"section_user_quantity"
}
......@@ -2,7 +2,8 @@
"meta_name":"number_of_user_quantity_stats_components",
"meta_type":"type-dimension",
"meta_description":[
"Gives the number of components of user-defined quantity stored in user_defined_quantity. It should be the value defined in ",
"Gives the number of components of user-defined quantity stored in ",
"user_defined_quantity. It should be the value defined in ",
"user_quantity_components of user_quantity_stats_to_user_quantity_definition_ref."],
"meta_parent_section":"section_user_quantity_stats"
}
......@@ -2,8 +2,11 @@
"meta_name":"section_atom_forces",
"meta_type":"type-section",
"meta_description":[
"Section keeping the forces acting on the atoms, calculated as minus gradient of atom_forces_quantity. ",
"The forces themselves are in atom_forces, the treatement of forces along constraints is described in atom_forces_constraints"],
"Section keeping the forces acting on the atoms, calculated as minus gradient of ",
"atom_forces_quantity. The forces themselves are in atom_forces, the treatement ",
"of forces along constraints is described in ",
"atom_forces_constraints"],
"meta_parent_section":"section_single_configuration_calculation",
"meta_repeats":true,
"meta_context_identifier":[]
}
......@@ -6,7 +6,7 @@
"user_quantity_name and stored in the monitored in a sequence of frames. A ",
"sequence is a trajectory, which can have number_of_frames_in_sequence each ",
"representing one section_single_configuration_calculation section.\n"],
"meta_data_type": "int"
"meta_default_value": 1
"meta_parent_section":"section_user_quantity_definition"
"meta_parent_section":"section_user_quantity_definition",
"meta_data_type":"int",
"meta_default_value":1
}
......@@ -2,8 +2,8 @@
"meta_name":"user_quantity_stats",
"meta_type":"type-value",
"meta_description":[
"Average of frame_sequence_user_quantity, its standard deviation and the number of samples in the",
"section_frame_sequence."],
"Average of frame_sequence_user_quantity, its standard deviation and the number ",
"of samples in thesection_frame_sequence."],
"meta_parent_section":"section_user_quantity_stats",
"meta_abstract_types":[
"derived_quantity"],
......
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