Commit af5b3070 authored by Alarcon Villaseca, Sebastian (sebas81)'s avatar Alarcon Villaseca, Sebastian (sebas81)
Browse files

Change meta info name for scf total energy

parent 1e2c8815
......@@ -865,7 +865,7 @@
"repeats": true,
"shape": [],
"superNames": [
"section_single_configuration_calculation"
"section_scf_iteration"
]
}, {
"description": "-",
......@@ -873,8 +873,7 @@
"name": "x_orca_last_energy_change",
"repeats": true,
"shape": [],
"superNames": [
"section_single_configuration_calculation"
"superNames": ["section_scf_iteration"
]
}, {
"description": "-",
......@@ -883,7 +882,7 @@
"repeats": true,
"shape": [],
"superNames": [
"section_single_configuration_calculation"
"section_scf_iteration"
]
}, {
"description": "-",
......@@ -892,7 +891,7 @@
"repeats": true,
"shape": [],
"superNames": [
"section_single_configuration_calculation"
"section_scf_iteration"
]
}, {
"description": "-",
......@@ -901,7 +900,7 @@
"repeats": true,
"shape": [],
"superNames": [
"section_single_configuration_calculation"
"section_scf_iteration"
]
}, {
"description": "-",
......@@ -910,7 +909,7 @@
"repeats": true,
"shape": [],
"superNames": [
"section_single_configuration_calculation"
"section_scf_iteration"
]
}, {
"description": "-",
......@@ -1563,7 +1562,7 @@
}, {
"description": "-",
"dtypeStr": "f",
"name": "x_orca_scf_total_energy",
"name": "energy_total_scf_iteration",
"repeats": true,
"shape": [],
"superNames": [
......
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