diff --git a/package-lock.json b/package-lock.json index 0191080c..3dbddd4e 100644 --- a/package-lock.json +++ b/package-lock.json @@ -118,6 +118,7 @@ "version": "7.27.1", "resolved": "https://registry.npmjs.org/@babel/code-frame/-/code-frame-7.27.1.tgz", "integrity": "sha512-cjQ7ZlQ0Mv3b47hABuTevyTuYN4i+loJKGeV9flcCgIK37cCXRh+L1bd3iBHlynerhQ7BhCkn2BPbQUL+rGqFg==", + "license": "MIT", "dependencies": { "@babel/helper-validator-identifier": "^7.27.1", "js-tokens": "^4.0.0", @@ -128,9 +129,10 @@ } }, "node_modules/@babel/compat-data": { - "version": "7.27.1", - "resolved": "https://registry.npmjs.org/@babel/compat-data/-/compat-data-7.27.1.tgz", - "integrity": "sha512-Q+E+rd/yBzNQhXkG+zQnF58e4zoZfBedaxwzPmicKsiK3nt8iJYrSrDbjwFFDGC4f+rPafqRaPH6TsDoSvMf7A==", + "version": "7.28.0", + "resolved": "https://registry.npmjs.org/@babel/compat-data/-/compat-data-7.28.0.tgz", + "integrity": "sha512-60X7qkglvrap8mn1lh2ebxXdZYtUcpd7gsmy9kLaBJ4i/WdY8PqTSdxyA8qraikqKQK5C1KRBKXqznrVapyNaw==", + 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}, @@ -1319,10 +1374,28 @@ "@babel/core": "^7.0.0-0" } }, + "node_modules/@babel/plugin-transform-explicit-resource-management": { + "version": "7.28.0", + "resolved": "https://registry.npmjs.org/@babel/plugin-transform-explicit-resource-management/-/plugin-transform-explicit-resource-management-7.28.0.tgz", + "integrity": "sha512-K8nhUcn3f6iB+P3gwCv/no7OdzOZQcKchW6N389V6PD8NUWKZHzndOd9sPDVbMoBsbmjMqlB4L9fm+fEFNVlwQ==", + "dev": true, + "license": "MIT", + "dependencies": { + "@babel/helper-plugin-utils": "^7.27.1", + "@babel/plugin-transform-destructuring": "^7.28.0" + }, + "engines": { + "node": ">=6.9.0" + }, + "peerDependencies": { + "@babel/core": "^7.0.0-0" + } + }, "node_modules/@babel/plugin-transform-exponentiation-operator": { "version": "7.27.1", "resolved": "https://registry.npmjs.org/@babel/plugin-transform-exponentiation-operator/-/plugin-transform-exponentiation-operator-7.27.1.tgz", "integrity": 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vasp: {}, // assuming default cutoffs for VASP + vasp: { + // assuming default cutoffs for VASP as specified in POTCAR + cutoffUnit: "eV", + }, espresso: { // assuming the default GBRV set of pseudopotentials is used wavefunction: 40, density: 200, + cutoffUnit: "Ry", }, }; @@ -45,11 +49,14 @@ export class PlanewaveCutoffsContextProvider extends ContextProvider { } get jsonSchema() { + const descriptionText = `Planewave cutoff parameters for electronic \ + wavefunctions and density. Cutoffs are expressed in \ + ${this._cutoffConfigPerApplication.cutoffUnit} for \ + ${this.application.name}.`; return { $schema: "http://json-schema.org/draft-07/schema#", title: " ", - description: - "Planewave cutoff parameters for electronic wavefunctions and density. Units are specific to simulation engine.", + description: descriptionText, type: "object", properties: { wavefunction: {