...
 
Commits (8)
......@@ -260,17 +260,6 @@
"superNames": [
"section_method_basis_set"
]
}, {
"description": "Reference to the topology and force fields to be used.",
"dtypeStr": "r",
"name": "method_to_topology_ref",
"referencedSections": [
"section_topology"
],
"shape": [],
"superNames": [
"section_method"
]
}, {
"description": "List of the indexes involved in this constraint. The fist atom has index 1, the last index is number_of_atoms_in_molecule.",
"dtypeStr": "i",
......@@ -551,14 +540,14 @@
}, {
"description": "Reference to the topology used for this system; if not given, the trivial topology should be assumed.",
"dtypeStr": "r",
"name": "topology_ref",
"name": "single_configuration_calculation_to_topology_ref",
"referencedSections": [
"section_topology"
],
"repeats": false,
"shape": [],
"superNames": [
"section_system"
"single_configuration_calculation"
]
}, {
"description": "DFT+U: Type of orbitals used for projection in order to calculate occupation numbers. Valid names are described in the [dft\\_plus\\_u\\_projection\\_type wiki page](https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-meta-info/wikis/metainfo/dft-plus-u-projection-type).",
......