added turbomole-specific meta-data for spectroscopic activity of vibrational modes

parent c4088422
......@@ -681,6 +681,26 @@
"superNames": [
"section_method"
]
}, {
"description": "IR activicity for vibration modes",
"dtypeStr": "b",
"name": "x_turbomole_vibrations_infrared_activity",
"shape": [
"x_turbomole_vibrations_num_modes"
],
"superNames": [
"section_single_configuration_calculation"
]
}, {
"description": "Raman activicity for vibration modes",
"dtypeStr": "b",
"name": "x_turbomole_vibrations_raman_activity",
"shape": [
"x_turbomole_vibrations_num_modes"
],
"superNames": [
"section_single_configuration_calculation"
]
}, {
"description": "IR Intensity for each vibrational normal mode",
"dtypeStr": "f",
......
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