Commit 320a9dad authored by Rosendo Valero Montero's avatar Rosendo Valero Montero
Browse files

common: target_spin_number -> target_multiplicity, total_charge

parent 77af88c1
...@@ -1781,9 +1781,9 @@ ...@@ -1781,9 +1781,9 @@
], ],
"units": "Pa" "units": "Pa"
}, { }, {
"description": "Target value of the s quantum number, which implies a $s*(s+1)$ value for $S^2$. It is a multiple of $1/2$. This value is not necessarily enforced", "description": "Target value of the multiplicity $M=2S+1$ where $S$ is the total spin. It is an integer number. This value is not necessarly reached.",
"dtypeStr": "f", "dtypeStr": "i",
"name": "target_spin_quantum_number", "name": "target_multiplicity",
"shape": [], "shape": [],
"superNames": [ "superNames": [
"section_method" "section_method"
...@@ -2004,6 +2004,14 @@ ...@@ -2004,6 +2004,14 @@
"section_single_configuration_calculation" "section_single_configuration_calculation"
], ],
"units": "s" "units": "s"
}, {
"description": "Total charge of the system.",
"dtypeStr": "i",
"name": "total_charge",
"shape": [],
"superNames": [
"section_method"
]
}, { }, {
"description": "Short string describing the van der Waals method. No such method, if skipped or empty. Van der Waals treatement strings are described on the [van\\_der\\_Waals\\_method wiki page](https://gitlab.mpcdf.mpg.de/nomad-lab/public-wiki/wikis/metainfo/van-der-Waals-method).", "description": "Short string describing the van der Waals method. No such method, if skipped or empty. Van der Waals treatement strings are described on the [van\\_der\\_Waals\\_method wiki page](https://gitlab.mpcdf.mpg.de/nomad-lab/public-wiki/wikis/metainfo/van-der-Waals-method).",
"dtypeStr": "C", "dtypeStr": "C",
......
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