Commit f8364d31 authored by Pardini, Lorenzo (lopa)'s avatar Pardini, Lorenzo (lopa)
Browse files

changed section to single_conf_calc

parent e7f81448
...@@ -26,7 +26,7 @@ ...@@ -26,7 +26,7 @@
"name": "x_elastic_number_of_deformations", "name": "x_elastic_number_of_deformations",
"shape": [], "shape": [],
"superNames": [ "superNames": [
"x_elastic_section_single_configuration_calculation" ] "section_single_configuration_calculation" ]
}, { }, {
"description": "Values of the strain for which the energy is calculated", "description": "Values of the strain for which the energy is calculated",
"dtypeStr": "f", "dtypeStr": "f",
...@@ -36,7 +36,7 @@ ...@@ -36,7 +36,7 @@
"x_elastic_number_of_distorted_structures" "x_elastic_number_of_distorted_structures"
], ],
"superNames": [ "superNames": [
"x_elastic_section_single_configuration_calculation" ] "section_single_configuration_calculation" ]
}, { }, {
"description": "energy values as a function of the strain", "description": "energy values as a function of the strain",
"dtypeStr": "f", "dtypeStr": "f",
...@@ -46,7 +46,7 @@ ...@@ -46,7 +46,7 @@
"x_elastic_number_of_distorted_structures" "x_elastic_number_of_distorted_structures"
], ],
"superNames": [ "superNames": [
"x_elastic_section_single_configuration_calculation" ] "section_single_configuration_calculation" ]
}, { }, {
"description": "Second order polinomial fit of the derivative of the energy with respect to the lagrangian stress", "description": "Second order polinomial fit of the derivative of the energy with respect to the lagrangian stress",
"dtypeStr": "f", "dtypeStr": "f",
...@@ -56,7 +56,7 @@ ...@@ -56,7 +56,7 @@
"x_elastic_d2E_number_of_eta_polinomial_2nd" "x_elastic_d2E_number_of_eta_polinomial_2nd"
], ],
"superNames": [ "superNames": [
"x_elastic_section_single_configuration_calculation" ] "section_single_configuration_calculation" ]
}, { }, {
"description": "Fourth order polinomial fit of the derivative of the energy with respect to the lagrangian stress", "description": "Fourth order polinomial fit of the derivative of the energy with respect to the lagrangian stress",
"dtypeStr": "f", "dtypeStr": "f",
...@@ -66,7 +66,7 @@ ...@@ -66,7 +66,7 @@
"x_elastic_d2E_number_of_eta_polinomial_4th" "x_elastic_d2E_number_of_eta_polinomial_4th"
], ],
"superNames": [ "superNames": [
"x_elastic_section_single_configuration_calculation" ] "section_single_configuration_calculation" ]
}, { }, {
"description": "Sixth order polinomial fit of the derivative of the energy with respect to the lagrangian stress", "description": "Sixth order polinomial fit of the derivative of the energy with respect to the lagrangian stress",
"dtypeStr": "f", "dtypeStr": "f",
...@@ -76,7 +76,7 @@ ...@@ -76,7 +76,7 @@
"x_elastic_d2E_number_of_eta_polinomial_6th" "x_elastic_d2E_number_of_eta_polinomial_6th"
], ],
"superNames": [ "superNames": [
"x_elastic_section_single_configuration_calculation" ] "section_single_configuration_calculation" ]
}, { }, {
"description": "Strain values of the second order polinomial fit of the derivative of the energy with respect to the lagrangian stress", "description": "Strain values of the second order polinomial fit of the derivative of the energy with respect to the lagrangian stress",
"dtypeStr": "f", "dtypeStr": "f",
...@@ -86,7 +86,7 @@ ...@@ -86,7 +86,7 @@
"x_elastic_d2E_number_of_eta_polinomial_2nd" "x_elastic_d2E_number_of_eta_polinomial_2nd"
], ],
"superNames": [ "superNames": [
"x_elastic_section_single_configuration_calculation" ] "section_single_configuration_calculation" ]
}, { }, {
"description": "Strain values of the fourth order polinomial fit of the derivative of the energy with respect to the lagrangian stress", "description": "Strain values of the fourth order polinomial fit of the derivative of the energy with respect to the lagrangian stress",
"dtypeStr": "f", "dtypeStr": "f",
...@@ -96,7 +96,7 @@ ...@@ -96,7 +96,7 @@
"x_elastic_d2E_number_of_eta_polinomial_4th" "x_elastic_d2E_number_of_eta_polinomial_4th"
], ],
"superNames": [ "superNames": [
"x_elastic_section_single_configuration_calculation" ] "section_single_configuration_calculation" ]
}, { }, {
"description": "Strain values of the sixth order polinomial fit of the derivative of the energy with respect to the lagrangian stress", "description": "Strain values of the sixth order polinomial fit of the derivative of the energy with respect to the lagrangian stress",
"dtypeStr": "f", "dtypeStr": "f",
...@@ -106,7 +106,7 @@ ...@@ -106,7 +106,7 @@
"x_elastic_d2E_number_of_eta_polinomial_6th" "x_elastic_d2E_number_of_eta_polinomial_6th"
], ],
"superNames": [ "superNames": [
"x_elastic_section_single_configuration_calculation" ] "section_single_configuration_calculation" ]
}, { }, {
"description": "Cross-validation error for the second order polinomial fit of the derivative of the energy with respect to the lagrangian stress", "description": "Cross-validation error for the second order polinomial fit of the derivative of the energy with respect to the lagrangian stress",
"dtypeStr": "f", "dtypeStr": "f",
...@@ -116,7 +116,7 @@ ...@@ -116,7 +116,7 @@
"x_elastic_cross_number_of_eta_polinomial_2nd" "x_elastic_cross_number_of_eta_polinomial_2nd"
], ],
"superNames": [ "superNames": [
"x_elastic_section_single_configuration_calculation" ] "section_single_configuration_calculation" ]
}, { }, {
"description": "Cross-validation error for the fourth order polinomial fit of the derivative of the energy with respect to the lagrangian stress", "description": "Cross-validation error for the fourth order polinomial fit of the derivative of the energy with respect to the lagrangian stress",
"dtypeStr": "f", "dtypeStr": "f",
...@@ -126,7 +126,7 @@ ...@@ -126,7 +126,7 @@
"x_elastic_cross_number_of_eta_polinomial_4th" "x_elastic_cross_number_of_eta_polinomial_4th"
], ],
"superNames": [ "superNames": [
"x_elastic_section_single_configuration_calculation" ] "section_single_configuration_calculation" ]
}, { }, {
"description": "Cross-validation error for the sixth order polinomial fit of the derivative of the energy with respect to the lagrangian stress", "description": "Cross-validation error for the sixth order polinomial fit of the derivative of the energy with respect to the lagrangian stress",
"dtypeStr": "f", "dtypeStr": "f",
...@@ -136,7 +136,7 @@ ...@@ -136,7 +136,7 @@
"x_elastic_cross_number_of_eta_polinomial_6th" "x_elastic_cross_number_of_eta_polinomial_6th"
], ],
"superNames": [ "superNames": [
"x_elastic_section_single_configuration_calculation" ] "section_single_configuration_calculation" ]
}, { }, {
"description": "Strain values for the cross-validation error of the second order polinomial fit of the derivative of the energy with respect to the lagrangian stress", "description": "Strain values for the cross-validation error of the second order polinomial fit of the derivative of the energy with respect to the lagrangian stress",
"dtypeStr": "f", "dtypeStr": "f",
...@@ -146,7 +146,7 @@ ...@@ -146,7 +146,7 @@
"x_elastic_cross_number_of_eta_polinomial_2nd" "x_elastic_cross_number_of_eta_polinomial_2nd"
], ],
"superNames": [ "superNames": [
"x_elastic_section_single_configuration_calculation" ] "section_single_configuration_calculation" ]
}, { }, {
"description": "Strain values for the cross-validation error of the fourth order polinomial fit of the derivative of the energy with respect to the lagrangian stress", "description": "Strain values for the cross-validation error of the fourth order polinomial fit of the derivative of the energy with respect to the lagrangian stress",
"dtypeStr": "f", "dtypeStr": "f",
...@@ -156,7 +156,7 @@ ...@@ -156,7 +156,7 @@
"x_elastic_cross_number_of_eta_polinomial_4th" "x_elastic_cross_number_of_eta_polinomial_4th"
], ],
"superNames": [ "superNames": [
"x_elastic_section_single_configuration_calculation" ] "section_single_configuration_calculation" ]
}, { }, {
"description": "Strain values for the cross-validation error of the sixth order polinomial fit of the derivative of the energy with respect to the lagrangian stress", "description": "Strain values for the cross-validation error of the sixth order polinomial fit of the derivative of the energy with respect to the lagrangian stress",
"dtypeStr": "f", "dtypeStr": "f",
...@@ -166,7 +166,7 @@ ...@@ -166,7 +166,7 @@
"x_elastic_cross_number_of_eta_polinomial_6th" "x_elastic_cross_number_of_eta_polinomial_6th"
], ],
"superNames": [ "superNames": [
"x_elastic_section_single_configuration_calculation" ] "section_single_configuration_calculation" ]
}, { }, {
"description": "Number of strain values used for the sixth order polinomial fit of the derivative of the energy with respect to the lagrangian stress", "description": "Number of strain values used for the sixth order polinomial fit of the derivative of the energy with respect to the lagrangian stress",
...@@ -174,56 +174,56 @@ ...@@ -174,56 +174,56 @@
"name": "x_elastic_d2E_number_of_eta_polinomial_6th", "name": "x_elastic_d2E_number_of_eta_polinomial_6th",
"shape": [], "shape": [],
"superNames": [ "superNames": [
"x_elastic_section_single_configuration_calculation" ] "section_single_configuration_calculation" ]
}, { }, {
"description": "Number of strain values used for the fourth order polinomial fit of the derivative of the energy with respect to the lagrangian stress", "description": "Number of strain values used for the fourth order polinomial fit of the derivative of the energy with respect to the lagrangian stress",
"dtypeStr": "i", "dtypeStr": "i",
"name": "x_elastic_d2E_number_of_eta_polinomial_4th", "name": "x_elastic_d2E_number_of_eta_polinomial_4th",
"shape": [], "shape": [],
"superNames": [ "superNames": [
"x_elastic_section_single_configuration_calculation" ] "section_single_configuration_calculation" ]
}, { }, {
"description": "Number of strain values used for the second order polinomial fit of the derivative of the energy with respect to the lagrangian stress", "description": "Number of strain values used for the second order polinomial fit of the derivative of the energy with respect to the lagrangian stress",
"dtypeStr": "i", "dtypeStr": "i",
"name": "x_elastic_d2E_number_of_eta_polinomial_2nd", "name": "x_elastic_d2E_number_of_eta_polinomial_2nd",
"shape": [], "shape": [],
"superNames": [ "superNames": [
"x_elastic_section_single_configuration_calculation" ] "section_single_configuration_calculation" ]
}, { }, {
"description": "Number of strain values used for the cross validation of the sixth order polinomial fit of the derivative of the energy with respect to the lagrangian stress", "description": "Number of strain values used for the cross validation of the sixth order polinomial fit of the derivative of the energy with respect to the lagrangian stress",
"dtypeStr": "i", "dtypeStr": "i",
"name": "x_elastic_cross_number_of_eta_polinomial_6th", "name": "x_elastic_cross_number_of_eta_polinomial_6th",
"shape": [], "shape": [],
"superNames": [ "superNames": [
"x_elastic_section_single_configuration_calculation" ] "section_single_configuration_calculation" ]
}, { }, {
"description": "Number of strain values used for the cross validation of the fourth order polinomial fit of the derivative of the energy with respect to the lagrangian stress", "description": "Number of strain values used for the cross validation of the fourth order polinomial fit of the derivative of the energy with respect to the lagrangian stress",
"dtypeStr": "i", "dtypeStr": "i",
"name": "x_elastic_cross_number_of_eta_polinomial_4th", "name": "x_elastic_cross_number_of_eta_polinomial_4th",
"shape": [], "shape": [],
"superNames": [ "superNames": [
"x_elastic_section_single_configuration_calculation" ] "section_single_configuration_calculation" ]
}, { }, {
"description": "Number of strain values used for the cross validation of the second order polinomial fit of the derivative of the energy with respect to the lagrangian stress", "description": "Number of strain values used for the cross validation of the second order polinomial fit of the derivative of the energy with respect to the lagrangian stress",
"dtypeStr": "i", "dtypeStr": "i",
"name": "x_elastic_cross_number_of_eta_polinomial_2nd", "name": "x_elastic_cross_number_of_eta_polinomial_2nd",
"shape": [], "shape": [],
"superNames": [ "superNames": [
"x_elastic_section_single_configuration_calculation" ] "section_single_configuration_calculation" ]
}, { }, {
"description": "Symmetry of the second-order elastic constant matrix in Voigt notation", "description": "Symmetry of the second-order elastic constant matrix in Voigt notation",
"dtypeStr": "C", "dtypeStr": "C",
"name": "x_elastic_2nd_order_constants_notation_matrix", "name": "x_elastic_2nd_order_constants_notation_matrix",
"shape": [6,6], "shape": [6,6],
"superNames": [ "superNames": [
"x_elastic_section_single_configuration_calculation" ] "section_single_configuration_calculation" ]
}, { }, {
"description": "Elastic constant (stiffness) matrix in GPa", "description": "Elastic constant (stiffness) matrix in GPa",
"dtypeStr": "f", "dtypeStr": "f",
"name": "x_elastic_2nd_order_constants_matrix", "name": "x_elastic_2nd_order_constants_matrix",
"shape": [6,6], "shape": [6,6],
"superNames": [ "superNames": [
"x_elastic_section_single_configuration_calculation" ], "section_single_configuration_calculation" ],
"units": "G-Pa" "units": "G-Pa"
}, { }, {
"description": "Elastic compliance matrix in 1/GPa", "description": "Elastic compliance matrix in 1/GPa",
...@@ -231,7 +231,7 @@ ...@@ -231,7 +231,7 @@
"name": "x_elastic_2nd_order_constants_compliance_matrix", "name": "x_elastic_2nd_order_constants_compliance_matrix",
"shape": [6,6], "shape": [6,6],
"superNames": [ "superNames": [
"x_elastic_section_single_configuration_calculation" ], "section_single_configuration_calculation" ],
"units": "G-Pa_1" "units": "G-Pa_1"
}, { }, {
"description": "Voigt bulk modulus", "description": "Voigt bulk modulus",
...@@ -239,7 +239,7 @@ ...@@ -239,7 +239,7 @@
"name": "x_elastic_Voigt_bulk_modulus", "name": "x_elastic_Voigt_bulk_modulus",
"shape": [], "shape": [],
"superNames": [ "superNames": [
"x_elastic_section_single_configuration_calculation" ], "section_single_configuration_calculation" ],
"units": "G-Pa" "units": "G-Pa"
}, { }, {
"description": "Voigt shear modulus", "description": "Voigt shear modulus",
...@@ -247,7 +247,7 @@ ...@@ -247,7 +247,7 @@
"name": "x_elastic_Voigt_shear_modulus", "name": "x_elastic_Voigt_shear_modulus",
"shape": [], "shape": [],
"superNames": [ "superNames": [
"x_elastic_section_single_configuration_calculation" ], "section_single_configuration_calculation" ],
"units": "G-Pa" "units": "G-Pa"
}, { }, {
"description": "Reuss bulk modulus", "description": "Reuss bulk modulus",
...@@ -255,7 +255,7 @@ ...@@ -255,7 +255,7 @@
"name": "x_elastic_Reuss_bulk_modulus", "name": "x_elastic_Reuss_bulk_modulus",
"shape": [], "shape": [],
"superNames": [ "superNames": [
"x_elastic_section_single_configuration_calculation" ], "section_single_configuration_calculation" ],
"units": "G-Pa" "units": "G-Pa"
}, { }, {
"description": "Reuss shear modulus", "description": "Reuss shear modulus",
...@@ -263,7 +263,7 @@ ...@@ -263,7 +263,7 @@
"name": "x_elastic_Reuss_shear_modulus", "name": "x_elastic_Reuss_shear_modulus",
"shape": [], "shape": [],
"superNames": [ "superNames": [
"x_elastic_section_single_configuration_calculation" ], "section_single_configuration_calculation" ],
"units": "G-Pa" "units": "G-Pa"
}, { }, {
"description": "Hill bulk modulus", "description": "Hill bulk modulus",
...@@ -271,7 +271,7 @@ ...@@ -271,7 +271,7 @@
"name": "x_elastic_Hill_bulk_modulus", "name": "x_elastic_Hill_bulk_modulus",
"shape": [], "shape": [],
"superNames": [ "superNames": [
"x_elastic_section_single_configuration_calculation" ], "section_single_configuration_calculation" ],
"units": "G-Pa" "units": "G-Pa"
}, { }, {
"description": "Hill shear modulus", "description": "Hill shear modulus",
...@@ -279,7 +279,7 @@ ...@@ -279,7 +279,7 @@
"name": "x_elastic_Hill_shear_modulus", "name": "x_elastic_Hill_shear_modulus",
"shape": [], "shape": [],
"superNames": [ "superNames": [
"x_elastic_section_single_configuration_calculation" ], "section_single_configuration_calculation" ],
"units": "G-Pa" "units": "G-Pa"
}, { }, {
"description": "Voigt Young modulus", "description": "Voigt Young modulus",
...@@ -287,7 +287,7 @@ ...@@ -287,7 +287,7 @@
"name": "x_elastic_Voigt_Young_modulus", "name": "x_elastic_Voigt_Young_modulus",
"shape": [], "shape": [],
"superNames": [ "superNames": [
"x_elastic_section_single_configuration_calculation" ], "section_single_configuration_calculation" ],
"units": "G-Pa" "units": "G-Pa"
}, { }, {
"description": "Voigt Poisson ratio", "description": "Voigt Poisson ratio",
...@@ -295,14 +295,14 @@ ...@@ -295,14 +295,14 @@
"name": "x_elastic_Voigt_Poisson_ratio", "name": "x_elastic_Voigt_Poisson_ratio",
"shape": [], "shape": [],
"superNames": [ "superNames": [
"x_elastic_section_single_configuration_calculation" ] "section_single_configuration_calculation" ]
}, { }, {
"description": "Reuss Young modulus", "description": "Reuss Young modulus",
"dtypeStr": "f", "dtypeStr": "f",
"name": "x_elastic_Reuss_Young_modulus", "name": "x_elastic_Reuss_Young_modulus",
"shape": [], "shape": [],
"superNames": [ "superNames": [
"x_elastic_section_single_configuration_calculation" ], "section_single_configuration_calculation" ],
"units": "G-Pa" "units": "G-Pa"
}, { }, {
"description": "Reuss Poisson ratio", "description": "Reuss Poisson ratio",
...@@ -310,14 +310,14 @@ ...@@ -310,14 +310,14 @@
"name": "x_elastic_Reuss_Poisson_ratio", "name": "x_elastic_Reuss_Poisson_ratio",
"shape": [], "shape": [],
"superNames": [ "superNames": [
"x_elastic_section_single_configuration_calculation" ] "section_single_configuration_calculation" ]
}, { }, {
"description": "Hill Young modulus", "description": "Hill Young modulus",
"dtypeStr": "f", "dtypeStr": "f",
"name": "x_elastic_Hill_Young_modulus", "name": "x_elastic_Hill_Young_modulus",
"shape": [], "shape": [],
"superNames": [ "superNames": [
"x_elastic_section_single_configuration_calculation" ], "section_single_configuration_calculation" ],
"units": "G-Pa" "units": "G-Pa"
}, { }, {
"description": "Hill Poisson ratio", "description": "Hill Poisson ratio",
...@@ -325,14 +325,14 @@ ...@@ -325,14 +325,14 @@
"name": "x_elastic_Hill_Poisson_ratio", "name": "x_elastic_Hill_Poisson_ratio",
"shape": [], "shape": [],
"superNames": [ "superNames": [
"x_elastic_section_single_configuration_calculation" ] "section_single_configuration_calculation" ]
}, { }, {
"description": "Eigemvalues of the stiffness matrix", "description": "Eigemvalues of the stiffness matrix",
"dtypeStr": "f", "dtypeStr": "f",
"name": "x_elastic_eigenvalues", "name": "x_elastic_eigenvalues",
"shape": [6], "shape": [6],
"superNames": [ "superNames": [
"x_elastic_section_single_configuration_calculation" ], "section_single_configuration_calculation" ],
"units": "G-Pa" "units": "G-Pa"
}, { }, {
"description": "deformation types", "description": "deformation types",
...@@ -341,7 +341,7 @@ ...@@ -341,7 +341,7 @@
"shape": [ "shape": [
"x_elastic_number_of_deformations",6], "x_elastic_number_of_deformations",6],
"superNames": [ "superNames": [
"x_elastic_section_single_configuration_calculation" ] "section_single_configuration_calculation" ]
}, { }, {
"description": "Method of calculation", "description": "Method of calculation",
"dtypeStr": "C", "dtypeStr": "C",
......
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