Commit 5aefb4f2 by Mohamed, Fawzi Roberto (fawzi)

### moving changes done while converting to new representation (elastic, exciting)

parent ebc9eba5
 ... ... @@ -115,10 +115,10 @@ "meta_dimension_symbolic":"x_elastic_number_of_deformations" }] },{ "meta_name":"x_elastic_fitting_parameters_polinomial_order", "meta_name":"x_elastic_fitting_parameters_polynomial_order", "meta_type":"type-value", "meta_description":[ "polinomial order used to fit the Energy vs. volume curve and to calculate the ", "polynomial order used to fit the Energy vs. volume curve and to calculate the ", "elastic constants"], "meta_parent_section":"x_elastic_section_fitting_parameters", "meta_data_type":"int", ... ... @@ -248,9 +248,9 @@ "meta_parent_section":"x_elastic_section_strain_diagrams", "meta_data_type":"int" },{ "meta_name":"x_elastic_strain_diagram_polinomial_fit_order", "meta_name":"x_elastic_strain_diagram_polynomial_fit_order", "meta_type":"type-value", "meta_description":"Order of the polinomial fit", "meta_description":"Order of the polynomial fit", "meta_parent_section":"x_elastic_section_strain_diagrams", "meta_data_type":"int" },{ ... ... @@ -266,7 +266,7 @@ "meta_type":"type-value", "meta_description":[ "Kind of strain diagram. Possible values are: energy; Lagrangian-stress; ", "Physical-stress; cross-validation (cross-validation error); d2E (second ", "Physical-stress; cross-validation (cross-validation error); d2e (second ", "derivative of the energy with respect to the strain); dtn (first derivative of ", "the stress with respect to the strain)"], "meta_parent_section":"x_elastic_section_strain_diagrams", ... ... @@ -275,7 +275,7 @@ "meta_name":"x_elastic_strain_diagram_values", "meta_type":"type-value", "meta_description":[ "Values of the energy(units:J)/d2E(units:Pa)/cross-validation (depending on the ", "Values of the energy(units:J)/d2e(units:Pa)/cross-validation (depending on the ", "value of x_elastic_strain_diagram_type)"], "meta_parent_section":"x_elastic_section_strain_diagrams", "meta_data_type":"float", ... ...
 ... ... @@ -1381,6 +1381,122 @@ "spectrum"], "meta_parent_section":"section_method", "meta_data_type":"boolean" },{ "meta_name":"x_exciting_xs_bse_epsilon_energies", "meta_type":"type-value", "meta_description":"Energies of the dielectric function epsilon", "meta_parent_section":"section_single_configuration_calculation", "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"x_exciting_xs_bse_number_of_components" },{ "meta_dimension_symbolic":"x_exciting_xs_bse_number_of_energy_points" }], "meta_units":"J" },{ "meta_name":"x_exciting_xs_bse_epsilon_im", "meta_type":"type-value", "meta_description":[ "Imaginary part of the dielectric function ", "epsilon"], "meta_parent_section":"section_single_configuration_calculation", "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"x_exciting_xs_bse_number_of_components" },{ "meta_dimension_symbolic":"x_exciting_xs_bse_number_of_energy_points" }] },{ "meta_name":"x_exciting_xs_bse_epsilon_re", "meta_type":"type-value", "meta_description":"Real part of the dielectric function epsilon", "meta_parent_section":"section_single_configuration_calculation", "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"x_exciting_xs_bse_number_of_components" },{ "meta_dimension_symbolic":"x_exciting_xs_bse_number_of_energy_points" }] },{ "meta_name":"x_exciting_xs_bse_exciton_amplitude_im", "meta_type":"type-value", "meta_description":"Imaginary part of the transition amplitude", "meta_parent_section":"section_single_configuration_calculation", "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"x_exciting_xs_bse_number_of_components" },{ "meta_dimension_symbolic":"x_exciting_xs_bse_number_of_excitons" }] },{ "meta_name":"x_exciting_xs_bse_exciton_amplitude_re", "meta_type":"type-value", "meta_description":"Real part of the transition amplitude", "meta_parent_section":"section_single_configuration_calculation", "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"x_exciting_xs_bse_number_of_components" },{ "meta_dimension_symbolic":"x_exciting_xs_bse_number_of_excitons" }] },{ "meta_name":"x_exciting_xs_bse_exciton_binding_energies", "meta_type":"type-value", "meta_description":"Exciton binding energies", "meta_parent_section":"section_single_configuration_calculation", "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"x_exciting_xs_bse_number_of_components" },{ "meta_dimension_symbolic":"x_exciting_xs_bse_number_of_excitons" }], "meta_units":"J" },{ "meta_name":"x_exciting_xs_bse_exciton_energies", "meta_type":"type-value", "meta_description":"Exciton energies", "meta_parent_section":"section_single_configuration_calculation", "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"x_exciting_xs_bse_number_of_components" },{ "meta_dimension_symbolic":"x_exciting_xs_bse_number_of_excitons" }], "meta_units":"J" },{ "meta_name":"x_exciting_xs_bse_exciton_oscillator_strength", "meta_type":"type-value", "meta_description":"Exciton oscillator strength", "meta_parent_section":"section_single_configuration_calculation", "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"x_exciting_xs_bse_number_of_components" },{ "meta_dimension_symbolic":"x_exciting_xs_bse_number_of_excitons" }] },{ "meta_name":"x_exciting_xs_bse_loss", "meta_type":"type-value", "meta_description":"Loss function", "meta_parent_section":"section_single_configuration_calculation", "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"x_exciting_xs_bse_number_of_components" },{ "meta_dimension_symbolic":"x_exciting_xs_bse_number_of_energy_points" }] },{ "meta_name":"x_exciting_xs_bse_loss_energies", "meta_type":"type-value", "meta_description":"Energies of the loss function", "meta_parent_section":"section_single_configuration_calculation", "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"x_exciting_xs_bse_number_of_components" },{ "meta_dimension_symbolic":"x_exciting_xs_bse_number_of_energy_points" }], "meta_units":"J" },{ "meta_name":"x_exciting_xs_bse_number_of_bands", "meta_type":"type-value", ... ... @@ -1395,6 +1511,28 @@ "meta_dimension":[{ "meta_dimension_fixed":4 }] },{ "meta_name":"x_exciting_xs_bse_number_of_components", "meta_type":"type-value", "meta_description":[ "Number of independent components in the dielectric ", "tensor"], "meta_parent_section":"section_single_configuration_calculation", "meta_data_type":"int" },{ "meta_name":"x_exciting_xs_bse_number_of_energy_points", "meta_type":"type-value", "meta_description":[ "Energy mesh for the dielectric function, conductivity and loss ", "function"], "meta_parent_section":"section_single_configuration_calculation", "meta_data_type":"int" },{ "meta_name":"x_exciting_xs_bse_number_of_excitons", "meta_type":"type-value", "meta_description":"Total number of excitons", "meta_parent_section":"section_single_configuration_calculation", "meta_data_type":"int" },{ "meta_name":"x_exciting_xs_bse_rgkmax", "meta_type":"type-value", ... ... @@ -1442,6 +1580,42 @@ "averaged"], "meta_parent_section":"section_method", "meta_data_type":"string" },{ "meta_name":"x_exciting_xs_bse_sigma_energies", "meta_type":"type-value", "meta_description":"Energies of the conductivity function sigma", "meta_parent_section":"section_single_configuration_calculation", "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"x_exciting_xs_bse_number_of_components" },{ "meta_dimension_symbolic":"x_exciting_xs_bse_number_of_energy_points" }], "meta_units":"J" },{ "meta_name":"x_exciting_xs_bse_sigma_im", "meta_type":"type-value", "meta_description":[ "Imaginary part of the conductivity function ", "sigma"], "meta_parent_section":"section_single_configuration_calculation", "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"x_exciting_xs_bse_number_of_components" },{ "meta_dimension_symbolic":"x_exciting_xs_bse_number_of_energy_points" }] },{ "meta_name":"x_exciting_xs_bse_sigma_re", "meta_type":"type-value", "meta_description":"Real part of the conductivity function sigma", "meta_parent_section":"section_single_configuration_calculation", "meta_data_type":"float", "meta_dimension":[{ "meta_dimension_symbolic":"x_exciting_xs_bse_number_of_components" },{ "meta_dimension_symbolic":"x_exciting_xs_bse_number_of_energy_points" }] },{ "meta_name":"x_exciting_xs_bse_type", "meta_type":"type-value", ... ...
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