@mat3ra/esse 2026.10.8-0 → 2026.10.25-0
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/dist/js/example/properties_directory/scalar/schottky_barrier_height_n.json +5 -0
- package/dist/js/example/properties_directory/scalar/schottky_barrier_height_p.json +5 -0
- package/dist/js/schema/properties_directory/enum_options.json +2 -0
- package/dist/js/schema/properties_directory/scalar/schottky_barrier_height_n.json +43 -0
- package/dist/js/schema/properties_directory/scalar/schottky_barrier_height_p.json +43 -0
- package/dist/js/schema/property/holder.json +84 -0
- package/dist/js/schemas.json +1 -1
- package/dist/js/types.d.ts +21 -1
- package/package.json +1 -1
package/dist/js/types.d.ts
CHANGED
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@@ -56778,7 +56778,7 @@ export type PropertyType = "scalar" | "non-scalar" | "tensor" | "object" | "arra
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* This interface was referenced by `PropertiesDirectoryEnumOptions`'s JSON-Schema
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* via the `definition` "ScalarPropertyEnum".
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*/
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-
export type ScalarPropertyEnum = "defect_formation_energy" | "fermi_energy" | "formation_energy" | "homo_energy" | "ionization_potential" | "lumo_energy" | "pressure" | "reaction_energy_barrier" | "surface_energy" | "interfacial_energy" | "thermal_correction_to_energy" | "thermal_correction_to_enthalpy" | "total_energy" | "total_force" | "valence_band_offset" | "zero_point_energy";
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+
export type ScalarPropertyEnum = "defect_formation_energy" | "fermi_energy" | "formation_energy" | "homo_energy" | "ionization_potential" | "lumo_energy" | "pressure" | "reaction_energy_barrier" | "surface_energy" | "interfacial_energy" | "thermal_correction_to_energy" | "thermal_correction_to_enthalpy" | "total_energy" | "total_force" | "valence_band_offset" | "schottky_barrier_height_p" | "schottky_barrier_height_n" | "zero_point_energy";
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/**
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* This interface was referenced by `PropertiesDirectoryEnumOptions`'s JSON-Schema
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* via the `definition` "NonScalarPropertyEnum".
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@@ -60038,6 +60038,18 @@ export interface ReactionEnergyBarrierPropertySchema {
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units: ("kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
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value: number;
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}
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+
/** Schema dist/js/schema/properties_directory/scalar/schottky_barrier_height_n.json */
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export interface SchottkyBarrierHeightNTypePropertySchema {
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name: "schottky_barrier_height_n";
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units: ("kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
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value: number;
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}
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/** Schema dist/js/schema/properties_directory/scalar/schottky_barrier_height_p.json */
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export interface SchottkyBarrierHeightPTypePropertySchema {
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name: "schottky_barrier_height_p";
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units: ("kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
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value: number;
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}
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/** Schema dist/js/schema/properties_directory/scalar/surface_energy.json */
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export interface SurfaceEnergyPropertySchema {
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name: "surface_energy";
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@@ -60763,6 +60775,14 @@ export interface PropertyHolderSchema {
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name: "valence_band_offset";
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units: ("kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
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value: number;
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} | {
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name: "schottky_barrier_height_p";
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units: ("kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
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value: number;
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} | {
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name: "schottky_barrier_height_n";
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units: ("kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
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value: number;
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} | {
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name: "zero_point_energy";
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units: ("kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
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package/package.json
CHANGED