diff --git a/assets/subworkflows/espresso/average_electrostastatic_potential_find_minima.yml b/assets/subworkflows/espresso/average_electrostatic_potential_find_minima.yml similarity index 95% rename from assets/subworkflows/espresso/average_electrostastatic_potential_find_minima.yml rename to assets/subworkflows/espresso/average_electrostatic_potential_find_minima.yml index 589193f..eb144d9 100644 --- a/assets/subworkflows/espresso/average_electrostastatic_potential_find_minima.yml +++ b/assets/subworkflows/espresso/average_electrostatic_potential_find_minima.yml @@ -18,7 +18,7 @@ units: flowchartId: python-find-extrema type: executionBuilder - config: - name: Set Averaged ESP Value + name: Set Average ESP Value operand: AVG_ESP value: 'json.loads(STDOUT)["minima"]' input: diff --git a/assets/subworkflows/espresso/average_electrostatic_potential_via_band_structure.yml b/assets/subworkflows/espresso/average_electrostatic_potential_via_band_structure.yml index 09e5b95..a93679c 100644 --- a/assets/subworkflows/espresso/average_electrostatic_potential_via_band_structure.yml +++ b/assets/subworkflows/espresso/average_electrostatic_potential_via_band_structure.yml @@ -7,7 +7,7 @@ method: name: PseudopotentialMethod model: name: DFTModel -name: Band Structure + averaged ESP +name: Band Structure + average ESP units: - config: name: Set Material Index @@ -53,15 +53,15 @@ units: type: executionBuilder - config: execName: average.x - flavorName: averaged_potential + flavorName: average_potential name: average ESP flowchartId: average-electrostatic-potential type: executionBuilder - config: name: Set Macroscopically Averaged ESP Data operand: array_from_context - value: 'averaged_potential_profile["yDataSeries"][1]' + value: 'average_potential_profile["yDataSeries"][1]' input: - - name: averaged_potential_profile + - name: average_potential_profile scope: average-electrostatic-potential type: assignment diff --git a/assets/workflows/espresso/valence_band_offset.yml b/assets/workflows/espresso/valence_band_offset.yml index ca29325..ac65266 100644 --- a/assets/workflows/espresso/valence_band_offset.yml +++ b/assets/workflows/espresso/valence_band_offset.yml @@ -29,7 +29,7 @@ units: attributes: name: Set Material Index (Interface) value: '0' -- name: average_electrostastatic_potential_find_minima +- name: average_electrostatic_potential_find_minima type: subworkflow config: attributes: @@ -81,9 +81,9 @@ units: config: attributes: input: - - name: averaged_potential_profile + - name: average_potential_profile scope: average-electrostatic-potential-left -- name: average_electrostastatic_potential_find_minima +- name: average_electrostatic_potential_find_minima type: subworkflow config: attributes: @@ -143,9 +143,9 @@ units: config: attributes: input: - - name: averaged_potential_profile + - name: average_potential_profile scope: average-electrostatic-potential-right -- name: average_electrostastatic_potential_find_minima +- name: average_electrostatic_potential_find_minima type: subworkflow config: attributes: diff --git a/package-lock.json b/package-lock.json index 177dea0..9d283d2 100644 --- a/package-lock.json +++ b/package-lock.json @@ -1213,9 +1213,9 @@ } }, "@exabyte-io/ade.js": { - "version": "2022.11.11-0", - "resolved": "https://registry.npmjs.org/@exabyte-io/ade.js/-/ade.js-2022.11.11-0.tgz", - "integrity": "sha512-kOjB4h56Cf+2bVi4L21Rh2n0OrKmy1wyJRFQhdpRlqL4gxlEPtkRAVG9kep9p1MFitj2hTmHWRS3KmCkPqDYfg==", + "version": "2022.11.15-0", + "resolved": "https://registry.npmjs.org/@exabyte-io/ade.js/-/ade.js-2022.11.15-0.tgz", + "integrity": "sha512-mL+8h/Pcy+R6J8UDRYqW79wIEOKdTPXcQI3s9oOiWeF1WJ4kdycUI6l6z4ZCWIgJKPJCoK5kXKURRd1vbt7baQ==", "dev": true, "requires": { "@babel/cli": "7.16.0", @@ -1226,7 +1226,7 @@ "@babel/preset-react": "7.16.7", "@babel/register": "^7.16.0", "@babel/runtime-corejs3": "7.16.8", - "@exabyte-io/application-flavors.js": "2022.11.10-0", + "@exabyte-io/application-flavors.js": "2022.11.15-1", "@exabyte-io/periodic-table.js": "2022.6.8-0", "lodash": "^4.17.21", "mixwith": "^0.1.1", @@ -1236,9 +1236,9 @@ } }, "@exabyte-io/application-flavors.js": { - "version": "2022.11.10-0", - "resolved": "https://registry.npmjs.org/@exabyte-io/application-flavors.js/-/application-flavors.js-2022.11.10-0.tgz", - "integrity": "sha512-CNNzWTu9S6Dxg6ypMzaweh1+3uIInYENzSf0GhhYOZG6gOTCHVEotNCPwnBjv8Q1KBqUJ0H7Lc2St8m5z320iQ==", + "version": "2022.11.15-1", + "resolved": "https://registry.npmjs.org/@exabyte-io/application-flavors.js/-/application-flavors.js-2022.11.15-1.tgz", + "integrity": "sha512-2cUYdNT7t2PoZ2fLDhyPQRkaa+oNMgmSuSxS4n5UxVJyA23/A1/cBt/jlhAWL9WxBeKZZ7nyfFlvVYYYO7smTw==", "dev": true, "requires": { "@babel/cli": "7.16.0", diff --git a/package.json b/package.json index ce0c10a..c17701a 100644 --- a/package.json +++ b/package.json @@ -46,7 +46,7 @@ }, "devDependencies": { "@exabyte-io/made.js": "2022.6.15-0", - "@exabyte-io/ade.js": "2022.11.11-0", + "@exabyte-io/ade.js": "2022.11.15-0", "@exabyte-io/ide.js": "2022.7.28-1", "@exabyte-io/mode.js": "2022.10.11-0", "@exabyte-io/code.js": "2022.11.11-0", diff --git a/src/workflows/workflows.js b/src/workflows/workflows.js index 18d99a7..d02775f 100644 --- a/src/workflows/workflows.js +++ b/src/workflows/workflows.js @@ -2,7 +2,7 @@ module.exports = { workflowData: { subworkflows: { espresso: { - average_electrostastatic_potential_find_minima: { + average_electrostatic_potential_find_minima: { application: { name: "python", version: "3.8.6" }, method: { name: "UnknownMethod" }, model: { name: "UnknownModel" }, @@ -20,7 +20,7 @@ module.exports = { { config: { input: [{ name: "STDOUT", scope: "python-find-extrema" }], - name: "Set Averaged ESP Value", + name: "Set Average ESP Value", operand: "AVG_ESP", value: 'json.loads(STDOUT)["minima"]', }, @@ -33,7 +33,7 @@ module.exports = { config: { isMultiMaterial: true }, method: { name: "PseudopotentialMethod" }, model: { name: "DFTModel" }, - name: "Band Structure + averaged ESP", + name: "Band Structure + average ESP", units: [ { config: { @@ -91,7 +91,7 @@ module.exports = { { config: { execName: "average.x", - flavorName: "averaged_potential", + flavorName: "average_potential", flowchartId: "average-electrostatic-potential", name: "average ESP", }, @@ -101,13 +101,13 @@ module.exports = { config: { input: [ { - name: "averaged_potential_profile", + name: "average_potential_profile", scope: "average-electrostatic-potential", }, ], name: "Set Macroscopically Averaged ESP Data", operand: "array_from_context", - value: 'averaged_potential_profile["yDataSeries"][1]', + value: 'average_potential_profile["yDataSeries"][1]', }, type: "assignment", }, @@ -1580,7 +1580,7 @@ module.exports = { }, { config: { attributes: { name: "Find ESP Values (Interface)" } }, - name: "average_electrostastatic_potential_find_minima", + name: "average_electrostatic_potential_find_minima", type: "subworkflow", unitConfigs: [ { @@ -1647,7 +1647,7 @@ module.exports = { attributes: { input: [ { - name: "averaged_potential_profile", + name: "average_potential_profile", scope: "average-electrostatic-potential-left", }, ], @@ -1660,7 +1660,7 @@ module.exports = { }, { config: { attributes: { name: "Find ESP Value (Interface left)" } }, - name: "average_electrostastatic_potential_find_minima", + name: "average_electrostatic_potential_find_minima", type: "subworkflow", unitConfigs: [ { @@ -1744,7 +1744,7 @@ module.exports = { attributes: { input: [ { - name: "averaged_potential_profile", + name: "average_potential_profile", scope: "average-electrostatic-potential-right", }, ], @@ -1757,7 +1757,7 @@ module.exports = { }, { config: { attributes: { name: "Find ESP Value (Interface right)" } }, - name: "average_electrostastatic_potential_find_minima", + name: "average_electrostatic_potential_find_minima", type: "subworkflow", unitConfigs: [ {