Commit 429709dc authored by Hagen-Henrik Kowalski's avatar Hagen-Henrik Kowalski
Browse files

thermal_properties changed to thermodynamical_properties

parent 85b95f5f
......@@ -1603,10 +1603,10 @@
"dtypeStr": "f",
"name": "helmholz_free_energy",
"shape": [
"number_of_thermal_property_values"
"number_of_thermodynamical_property_values"
],
"superNames": [
"section_thermal_properties"
"section_thermodynamical_properties"
],
"units": "J"
}, {
......@@ -2078,10 +2078,10 @@
"description": "Number of thermal properties values.",
"dtypeStr": "i",
"kindStr": "type_dimension",
"name": "number_of_thermal_property_values",
"name": "number_of_thermodynamical_property_values",
"shape": [],
"superNames": [
"section_thermal_properties"
"section_thermodynamical_properties"
]
}, {
"description": "The number of evaluations of this user defined quantity in this sequence (i.e., trajectory, a frame is one section_single_configuration_calculation), most likely equal to number_of_frames_in_sequence.",
......@@ -2564,9 +2564,9 @@
"section_run"
]
}, {
"description": "Thermal properties",
"description": "Thermodynamical properties",
"kindStr": "type_section",
"name": "section_thermal_properties",
"name": "section_thermodynamical_properties",
"superNames": [
"section_single_configuration_calculation"
]
......@@ -2986,30 +2986,30 @@
}, {
"description": "Method used to calculate the thermodynamic quantities. Valid values are harmonic",
"dtypeStr": "C",
"name": "thermal_properties_calculation_method",
"name": "thermodynamical_properties_calculation_method",
"superNames": [
"section_thermal_properties"
"section_thermodynamical_properties"
]
}, {
"description": "Heat capacity per cell unit at constant volume",
"dtypeStr": "f",
"name": "thermal_property_heat_capacity_C_v",
"name": "thermodynamical_property_heat_capacity_C_v",
"shape": [
"number_of_thermal_property_values"
"number_of_thermodynamical_property_values"
],
"superNames": [
"section_thermal_properties"
"section_thermodynamical_properties"
],
"units": "J*K**(-1)"
}, {
"description": "Temperatures at which properties such as the Helmholz free energy are calculated",
"dtypeStr": "f",
"name": "thermal_property_temperature",
"name": "thermodynamical_property_temperature",
"shape": [
"number_of_thermal_property_values"
"number_of_thermodynamical_property_values"
],
"superNames": [
"section_thermal_properties"
"section_thermodynamical_properties"
],
"units": "K"
}, {
......@@ -3250,10 +3250,10 @@
"dtypeStr": "f",
"name": "vibrational_free_energy_at_constant_volume",
"shape": [
"number_of_thermal_property_values"
"number_of_thermodynamical_property_values"
],
"superNames": [
"section_thermal_properties"
"section_thermodynamical_properties"
],
"units": "J"
}, {
......
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