@mat3ra/esse 2026.7.13-0 → 2026.7.14-0
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/interfacial_energy.json +5 -0
- package/dist/js/schema/properties_directory/enum_options.json +1 -0
- package/dist/js/schema/properties_directory/scalar/interfacial_energy.json +43 -0
- package/dist/js/schema/property/holder.json +42 -0
- package/dist/js/schemas.json +1 -1
- package/dist/js/types.d.ts +11 -1
- package/dist/mat3ra_esse-2026.6.30.post0-py3-none-any.whl +0 -0
- package/dist/mat3ra_esse-2026.6.30.post0.tar.gz +0 -0
- package/example/properties_directory/scalar/interfacial_energy.json +5 -0
- package/manifest/properties.yaml +6 -0
- package/package.json +1 -1
- package/schema/properties_directory/enum_options.json +1 -0
- package/schema/properties_directory/scalar/interfacial_energy.json +21 -0
- package/schema/property/holder.json +3 -0
package/dist/js/types.d.ts
CHANGED
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@@ -53720,7 +53720,7 @@ 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 = "fermi_energy" | "formation_energy" | "homo_energy" | "ionization_potential" | "lumo_energy" | "pressure" | "reaction_energy_barrier" | "surface_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 = "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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/**
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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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@@ -56967,6 +56967,12 @@ export interface HOMOEnergyPropertySchema {
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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/interfacial_energy.json */
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export interface InterfacialEnergyPropertySchema {
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name: "interfacial_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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value: number;
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}
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/** Schema dist/js/schema/properties_directory/scalar/ionization_potential.json */
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export interface IonizationPotentialScalarPropertySchema {
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name: "ionization_potential";
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@@ -57676,6 +57682,10 @@ export interface PropertyHolderSchema {
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name: "surface_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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value: number;
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+
} | {
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name: "interfacial_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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value: number;
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} | {
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name: "thermal_correction_to_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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Binary file
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Binary file
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package/manifest/properties.yaml
CHANGED
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@@ -29,6 +29,12 @@ surface_energy:
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schemaId: properties-directory/scalar/surface-energy
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isResult: true
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interfacial_energy:
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defaults:
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units: eV/A^2
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schemaId: properties-directory/scalar/interfacial-energy
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isResult: true
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+
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fermi_energy:
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defaults:
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units: eV
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package/package.json
CHANGED
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@@ -0,0 +1,21 @@
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{
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"$id": "properties-directory/scalar/interfacial-energy",
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"$schema": "http://json-schema.org/draft-07/schema#",
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"title": "Interfacial energy property schema",
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"type": "object",
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"allOf": [
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{
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"$ref": "../../core/reusable/energy.json"
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}
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],
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"properties": {
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"name": {
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"enum": [
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"interfacial_energy"
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]
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}
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},
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"required": [
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"name"
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]
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}
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