Commit 2e37c188 authored by Adriel Domínguez's avatar Adriel Domínguez
Browse files

added eigenvalue and filling matainfo

parent 56185aaa
......@@ -26,6 +26,20 @@
"superNames": ["section_molecule_type"],
"dtypeStr": "f",
"shape": []
},{
"description": "-",
"repeats": true,
"name": "x_dftbp_eigenvalues_values",
"superNames": ["section_eigenvalues"],
"dtypeStr": "f",
"shape": []
},{
"description": "-",
"repeats": true,
"name": "x_dftbp_eigenvalues_occupation",
"superNames": ["section_eigenvalues"],
"dtypeStr": "f",
"shape": []
},{
"description": "-",
"repeats": true,
......
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