Commit 377aec0b authored by Ihrig, Arvid Conrad (ari)'s avatar Ihrig, Arvid Conrad (ari)
Browse files

Turbomole specific meta-data for irreps

parent 9581e658
......@@ -780,6 +780,18 @@
"superNames": [
"section_single_configuration_calculation"
]
}, {
"description": "Irreducible representation the eigenstates belong to.",
"dtypeStr": "C",
"name": "x_turbomole_eigenvalues_irreducible_representation",
"shape": [
"number_of_spin_channels",
"number_of_eigenvalues_kpoints",
"number_of_eigenvalues"
],
"superNames": [
"section_eigenvalues"
]
}, {
"description": "TODO:",
"dtypeStr": "f",
......
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