ORCA: timings should be part of section_single_configuration_calculation, not...

ORCA: timings should be part of section_single_configuration_calculation, not section_scf_iteration.

meta_info/nomad_meta_info/orca.nomadmetainfo.json

@@ -253,7 +253,7 @@
       "repeats": true,
       "shape": [],
       "superNames": [
-        "section_scf_iteration"
+        "section_single_configuration_calculation"
       ]
     }, {
       "description": "-",
@@ -514,7 +514,7 @@
       "repeats": true,
       "shape": [],
       "superNames": [
-        "section_scf_iteration"
+        "section_single_configuration_calculation"
       ]
     }, {
       "description": "-",
@@ -541,7 +541,7 @@
       "repeats": true,
       "shape": [],
       "superNames": [
-        "section_scf_iteration"
+        "section_single_configuration_calculation"
       ]
     }, {
       "description": "-",
@@ -550,7 +550,7 @@
       "repeats": true,
       "shape": [],
       "superNames": [
-        "section_scf_iteration"
+        "section_single_configuration_calculation"
       ]
     }, {
       "description": "-",
@@ -568,7 +568,7 @@
       "repeats": true,
       "shape": [],
       "superNames": [
-        "section_scf_iteration"
+        "section_single_configuration_calculation"
       ]
     }, {
       "description": "-",
@@ -577,7 +577,7 @@
       "repeats": true,
       "shape": [],
       "superNames": [
-        "section_scf_iteration"
+        "section_single_configuration_calculation"
       ]
     }, {
       "description": "-",
@@ -674,7 +674,7 @@
       "repeats": true,
       "shape": [],
       "superNames": [
-        "section_scf_iteration"
+        "section_single_configuration_calculation"
       ]
     }, {
       "description": "-",
@@ -683,7 +683,7 @@
       "repeats": true,
       "shape": [],
       "superNames": [
-        "section_scf_iteration"
+        "section_single_configuration_calculation"
       ]
     }, {
       "description": "-",
@@ -728,7 +728,7 @@
       "repeats": true,
       "shape": [],
       "superNames": [
-        "section_scf_iteration"
+        "section_single_configuration_calculation"
       ]
     }, {
       "description": "-",
@@ -791,7 +791,7 @@
       "repeats": true,
       "shape": [],
       "superNames": [
-        "section_scf_iteration"
+        "section_single_configuration_calculation"
       ]
     }, {
       "description": "-",
@@ -1411,7 +1411,7 @@
       "repeats": true,
       "shape": [],
       "superNames": [
-        "section_scf_iteration"
+        "section_single_configuration_calculation"
       ]
     }, {
       "description": "-",
@@ -1420,7 +1420,7 @@
       "repeats": true,
       "shape": [],
       "superNames": [
-        "section_scf_iteration"
+        "section_single_configuration_calculation"
       ]
     }, {
       "description": "-",
@@ -1456,7 +1456,7 @@
       "repeats": true,
       "shape": [],
       "superNames": [
-        "section_scf_iteration"
+        "section_single_configuration_calculation"
       ]
     }, {
       "description": "-",
@@ -1474,7 +1474,7 @@
       "repeats": true,
       "shape": [],
       "superNames": [
-        "section_scf_iteration"
+        "section_single_configuration_calculation"
       ]
     }, {
       "description": "-",
@@ -1627,7 +1627,7 @@
       "repeats": true,
       "shape": [],
       "superNames": [
-        "section_scf_iteration"
+        "section_single_configuration_calculation"
       ]
     }, {
       "description": "-",
@@ -1636,7 +1636,7 @@
       "repeats": true,
       "shape": [],
       "superNames": [
-        "section_scf_iteration"
+        "section_single_configuration_calculation"
       ]
     }, {
       "description": "-",
@@ -1672,7 +1672,7 @@
       "repeats": true,
       "shape": [],
       "superNames": [
-        "section_scf_iteration"
+        "section_single_configuration_calculation"
       ]
     }, {
       "description": "-",
@@ -1681,7 +1681,7 @@
       "repeats": true,
       "shape": [],
       "superNames": [
-        "section_scf_iteration"
+        "section_single_configuration_calculation"
       ]
     }, {
       "description": "-",
@@ -1690,7 +1690,7 @@
       "repeats": true,
       "shape": [],
       "superNames": [
-        "section_scf_iteration"
+        "section_single_configuration_calculation"
       ]
     }, {
       "description": "-",
@@ -1744,7 +1744,7 @@
       "repeats": true,
       "shape": [],
       "superNames": [
-        "section_scf_iteration"
+        "section_single_configuration_calculation"
       ]
     }, {
       "description": "-",
@@ -1852,7 +1852,7 @@
       "repeats": true,
       "shape": [],
       "superNames": [
-        "section_scf_iteration"
+        "section_single_configuration_calculation"
       ]
     }, {
       "description": "-",
@@ -1861,7 +1861,7 @@
       "repeats": true,
       "shape": [],
       "superNames": [
-        "section_scf_iteration"
+        "section_single_configuration_calculation"
       ]
     }, {
       "description": "-",