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 @@ ...@@ -1603,10 +1603,10 @@
"dtypeStr": "f", "dtypeStr": "f",
"name": "helmholz_free_energy", "name": "helmholz_free_energy",
"shape": [ "shape": [
"number_of_thermal_property_values" "number_of_thermodynamical_property_values"
], ],
"superNames": [ "superNames": [
"section_thermal_properties" "section_thermodynamical_properties"
], ],
"units": "J" "units": "J"
}, { }, {
...@@ -2078,10 +2078,10 @@ ...@@ -2078,10 +2078,10 @@
"description": "Number of thermal properties values.", "description": "Number of thermal properties values.",
"dtypeStr": "i", "dtypeStr": "i",
"kindStr": "type_dimension", "kindStr": "type_dimension",
"name": "number_of_thermal_property_values", "name": "number_of_thermodynamical_property_values",
"shape": [], "shape": [],
"superNames": [ "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.", "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 @@ ...@@ -2564,9 +2564,9 @@
"section_run" "section_run"
] ]
}, { }, {
"description": "Thermal properties", "description": "Thermodynamical properties",
"kindStr": "type_section", "kindStr": "type_section",
"name": "section_thermal_properties", "name": "section_thermodynamical_properties",
"superNames": [ "superNames": [
"section_single_configuration_calculation" "section_single_configuration_calculation"
] ]
...@@ -2986,30 +2986,30 @@ ...@@ -2986,30 +2986,30 @@
}, { }, {
"description": "Method used to calculate the thermodynamic quantities. Valid values are harmonic", "description": "Method used to calculate the thermodynamic quantities. Valid values are harmonic",
"dtypeStr": "C", "dtypeStr": "C",
"name": "thermal_properties_calculation_method", "name": "thermodynamical_properties_calculation_method",
"superNames": [ "superNames": [
"section_thermal_properties" "section_thermodynamical_properties"
] ]
}, { }, {
"description": "Heat capacity per cell unit at constant volume", "description": "Heat capacity per cell unit at constant volume",
"dtypeStr": "f", "dtypeStr": "f",
"name": "thermal_property_heat_capacity_C_v", "name": "thermodynamical_property_heat_capacity_C_v",
"shape": [ "shape": [
"number_of_thermal_property_values" "number_of_thermodynamical_property_values"
], ],
"superNames": [ "superNames": [
"section_thermal_properties" "section_thermodynamical_properties"
], ],
"units": "J*K**(-1)" "units": "J*K**(-1)"
}, { }, {
"description": "Temperatures at which properties such as the Helmholz free energy are calculated", "description": "Temperatures at which properties such as the Helmholz free energy are calculated",
"dtypeStr": "f", "dtypeStr": "f",
"name": "thermal_property_temperature", "name": "thermodynamical_property_temperature",
"shape": [ "shape": [
"number_of_thermal_property_values" "number_of_thermodynamical_property_values"
], ],
"superNames": [ "superNames": [
"section_thermal_properties" "section_thermodynamical_properties"
], ],
"units": "K" "units": "K"
}, { }, {
...@@ -3250,10 +3250,10 @@ ...@@ -3250,10 +3250,10 @@
"dtypeStr": "f", "dtypeStr": "f",
"name": "vibrational_free_energy_at_constant_volume", "name": "vibrational_free_energy_at_constant_volume",
"shape": [ "shape": [
"number_of_thermal_property_values" "number_of_thermodynamical_property_values"
], ],
"superNames": [ "superNames": [
"section_thermal_properties" "section_thermodynamical_properties"
], ],
"units": "J" "units": "J"
}, { }, {
......
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