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Merged
timurbazhirov merged 11 commits into from
Jan 12, 2026
Merged

Feature/SOF-7784 Update: clear typo #97

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e07502f
chore: fix a typo
VsevolodX Dec 10, 2025
ff7398d
chore: fix a typo
VsevolodX Dec 10, 2025
e26efdd
update: remove typo
VsevolodX Dec 10, 2025
28c2239
Merge branch 'fix/typo' into feature/SOF-7803
VsevolodX Dec 30, 2025
c92a3d4
tmp: new wode
VsevolodX Dec 30, 2025
ad89456
update: remove and regen
VsevolodX Dec 30, 2025
e2fadf6
chore: delete old
VsevolodX Jan 8, 2026
ee9892f
chore: clear build before building
VsevolodX Jan 8, 2026
6bee647
update: mm map built before copying
VsevolodX Jan 11, 2026
af14d5f
chore: remove redundant
VsevolodX Jan 11, 2026
68b6f3a
update: wode
VsevolodX Jan 12, 2026
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2 changes: 1 addition & 1 deletion build-config.ts
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Original file line number Diff line number Diff line change
Expand Up @@ -82,7 +82,7 @@ export const BUILD_CONFIG = {
},
build: {
path: "build/standata/workflows",
workflowSubforkflowMapByApplication: "workflowSubforkflowMapByApplication.json",
workflowSubworkflowMapByApplication: "workflowSubworkflowMapByApplication.json",
},
},

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10 changes: 5 additions & 5 deletions data/workflows/subworkflows/espresso/average_electrostatic_potential_find_minima.json
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@@ -1,6 +1,6 @@
{
"_id": "736295e8-2ee0-5974-83bc-362061ac0688",
"name": "Find ESP Value (Interface right)",
"_id": "e5bee93f-2b6b-5d91-9a53-5ed309a918d3",
"name": "Find ESP Value",
"application": {
"name": "espresso"
},
Expand All @@ -25,7 +25,7 @@
"name": "standard_output"
}
],
"flowchartId": "python-find-extrema-right",
"flowchartId": "python-find-extrema",
"preProcessors": [],
"postProcessors": [],
"application": {
Expand Down Expand Up @@ -93,12 +93,12 @@
{
"name": "Set Average ESP Value",
"type": "assignment",
"operand": "AVG_ESP_RIGHT",
"operand": "AVG_ESP",
"value": "json.loads(STDOUT)['minima']",
"input": [
{
"name": "STDOUT",
"scope": "python-find-extrema-right"
"scope": "python-find-extrema"
}
],
"status": "idle",
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24 changes: 12 additions & 12 deletions data/workflows/subworkflows/espresso/average_electrostatic_potential_via_band_structure.json
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Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
{
"isMultiMaterial": true,
"_id": "aa611fe8-1e6a-5e5c-976a-f64bfaaaace9",
"name": "BS + Avg ESP (interface right)",
"_id": "09f5f4ff-7dbd-59ae-ad27-5af1bdfc2bd0",
"name": "Band Structure + average ESP",
"application": {
"name": "espresso"
},
Expand Down Expand Up @@ -32,14 +32,14 @@
},
"units": [
{
"name": "Set Material Index (Interface right)",
"name": "Set Material Index",
"type": "assignment",
"operand": "MATERIAL_INDEX",
"value": "2",
"value": 0,
"input": [],
"status": "idle",
"statusTrack": [],
"flowchartId": "a05809d1-cc0d-5a0b-bf5e-d43b90a6ac4b",
"flowchartId": "2d360607-c739-54ad-97a0-8a83f0971f2c",
"tags": [],
"head": true,
"next": "9fc7a088-5533-5f70-bb33-f676ec65f565",
Expand Down Expand Up @@ -165,7 +165,7 @@
"schemaVersion": "2022.8.16"
}
],
"next": "pw-bands-calculate-band-gap-right"
"next": "pw-bands-calculate-band-gap"
},
{
"type": "execution",
Expand All @@ -181,7 +181,7 @@
"name": "standard_output"
}
],
"flowchartId": "pw-bands-calculate-band-gap-right",
"flowchartId": "pw-bands-calculate-band-gap",
"preProcessors": [],
"postProcessors": [],
"application": {
Expand Down Expand Up @@ -260,7 +260,7 @@
"input": [
{
"name": "band_gaps",
"scope": "pw-bands-calculate-band-gap-right"
"scope": "pw-bands-calculate-band-gap"
}
],
"status": "idle",
Expand All @@ -283,7 +283,7 @@
{
"name": "Set Valence Band Maximum",
"type": "assignment",
"operand": "VBM_RIGHT",
"operand": "VBM",
"value": "BAND_GAP_INDIRECT['eigenvalueValence']",
"input": [],
"status": "idle",
Expand Down Expand Up @@ -426,7 +426,7 @@
"schemaVersion": "2022.8.16"
}
],
"next": "average-electrostatic-potential-right"
"next": "average-electrostatic-potential"
},
{
"type": "execution",
Expand All @@ -442,7 +442,7 @@
"name": "standard_output"
}
],
"flowchartId": "average-electrostatic-potential-right",
"flowchartId": "average-electrostatic-potential",
"preProcessors": [],
"postProcessors": [],
"application": {
Expand Down Expand Up @@ -505,7 +505,7 @@
"input": [
{
"name": "average_potential_profile",
"scope": "average-electrostatic-potential-right"
"scope": "average-electrostatic-potential"
}
],
"status": "idle",
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4 changes: 2 additions & 2 deletions data/workflows/subworkflows/espresso/band_structure_hse.json
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Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
{
"_id": "e47ca302-96f2-5726-9b4c-f34cdfaa7f72",
"name": "Main HSE Run",
"_id": "ef3089f3-7460-56f2-9aa2-172d5339d3be",
"name": "Band Structure - HSE",
"application": {
"name": "espresso"
},
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4 changes: 2 additions & 2 deletions data/workflows/subworkflows/espresso/band_structure_magn.json
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Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
{
"_id": "354942f1-9f3d-57a9-b5ae-6bdf5b3a60af",
"name": "Bandstructure with spin magnetism",
"_id": "4a7dced1-224e-57d7-a616-cbad99062c7b",
"name": "Spin magnetic bandstructure",
"application": {
"name": "espresso"
},
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4 changes: 2 additions & 2 deletions data/workflows/subworkflows/espresso/band_structure_soc.json
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Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
{
"_id": "153b4a88-5d56-553f-b7d3-40df96968eb4",
"name": "Bandstructure with SOC",
"_id": "51e6fb82-538a-58ee-8d4e-991c8446f657",
"name": "Spin orbit coupling bandstructure",
"application": {
"name": "espresso"
},
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4 changes: 2 additions & 2 deletions data/workflows/subworkflows/espresso/pw_scf.json
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Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
{
"_id": "79f2cb6a-7994-5369-8c85-af07c55ad26f",
"name": "Preliminary SCF Calculation",
"_id": "f52b8039-83d0-5485-a1f1-0bc37cb01ed3",
"name": "pw-scf",
"application": {
"name": "espresso"
},
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2 changes: 1 addition & 1 deletion dist/js/index.d.ts
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Original file line number Diff line number Diff line change
Expand Up @@ -2,7 +2,7 @@ export { Standata } from "./base";
export { MaterialStandata } from "./material";
export { ApplicationStandata } from "./application";
export { PropertyStandata } from "./property";
export { WorkflowStandata, SubworkflowStandata, workflowSubforkflowMapByApplication, } from "./workflow";
export { WorkflowStandata, SubworkflowStandata, workflowSubworkflowMapByApplication, } from "./workflow";
export { ApplicationModelStandata } from "./applicationModel";
export { ApplicationMethodStandata } from "./applicationMethod";
export { ModelStandata } from "./model";
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4 changes: 2 additions & 2 deletions dist/js/index.js
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Expand Up @@ -3,7 +3,7 @@ var __importDefault = (this && this.__importDefault) || function (mod) {
return (mod && mod.__esModule) ? mod : { "default": mod };
};
Object.defineProperty(exports, "__esModule", { value: true });
exports.baseUiSchema = exports.methodTree = exports.modelTree = exports.filterMethodsByModel = exports.ModelMethodFilter = exports.MethodStandata = exports.ModelStandata = exports.ApplicationMethodStandata = exports.ApplicationModelStandata = exports.workflowSubforkflowMapByApplication = exports.SubworkflowStandata = exports.WorkflowStandata = exports.PropertyStandata = exports.ApplicationStandata = exports.MaterialStandata = exports.Standata = void 0;
exports.baseUiSchema = exports.methodTree = exports.modelTree = exports.filterMethodsByModel = exports.ModelMethodFilter = exports.MethodStandata = exports.ModelStandata = exports.ApplicationMethodStandata = exports.ApplicationModelStandata = exports.workflowSubworkflowMapByApplication = exports.SubworkflowStandata = exports.WorkflowStandata = exports.PropertyStandata = exports.ApplicationStandata = exports.MaterialStandata = exports.Standata = void 0;
var base_1 = require("./base");
Object.defineProperty(exports, "Standata", { enumerable: true, get: function () { return base_1.Standata; } });
var material_1 = require("./material");
Expand All @@ -15,7 +15,7 @@ Object.defineProperty(exports, "PropertyStandata", { enumerable: true, get: func
var workflow_1 = require("./workflow");
Object.defineProperty(exports, "WorkflowStandata", { enumerable: true, get: function () { return workflow_1.WorkflowStandata; } });
Object.defineProperty(exports, "SubworkflowStandata", { enumerable: true, get: function () { return workflow_1.SubworkflowStandata; } });
Object.defineProperty(exports, "workflowSubforkflowMapByApplication", { enumerable: true, get: function () { return workflow_1.workflowSubforkflowMapByApplication; } });
Object.defineProperty(exports, "workflowSubworkflowMapByApplication", { enumerable: true, get: function () { return workflow_1.workflowSubworkflowMapByApplication; } });
var applicationModel_1 = require("./applicationModel");
Object.defineProperty(exports, "ApplicationModelStandata", { enumerable: true, get: function () { return applicationModel_1.ApplicationModelStandata; } });
var applicationMethod_1 = require("./applicationMethod");
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2 changes: 1 addition & 1 deletion dist/js/runtime_data/models/modelMethodMap.json
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@@ -1 +1 @@
[{"filterRules":[{"path":"/qm/wf/none/pw/none"},{"regex":"\\/qm\\/wf\\/none\\/psp\\/.*"},{"regex":"\\/qm\\/wf\\/none\\/smearing\\/.*"},{"regex":"\\/qm\\/wf\\/none\\/tetrahedron\\/.*"},{"path":"/opt/diff/ordern/cg/none"},{"path":"/linalg/diag/none/davidson/none"}],"modelCategories":{"tier1":"pb","tier2":"qm","tier3":"abin","type":"gw"}},{"filterRules":[{"path":"/qm/wf/none/pw/none"},{"regex":"\\/qm\\/wf\\/none\\/psp\\/.*"},{"regex":"\\/qm\\/wf\\/none\\/smearing\\/.*"},{"regex":"\\/qm\\/wf\\/none\\/tetrahedron\\/.*"},{"path":"/opt/diff/ordern/cg/none"},{"path":"/linalg/diag/none/davidson/none"}],"modelCategories":{"subtype":"lda","tier1":"pb","tier2":"qm","tier3":"dft","type":"ksdft"}},{"filterRules":[{"path":"/qm/wf/none/pw/none"},{"regex":"\\/qm\\/wf\\/none\\/psp\\/.*"},{"regex":"\\/qm\\/wf\\/none\\/smearing\\/.*"},{"regex":"\\/qm\\/wf\\/none\\/tetrahedron\\/.*"},{"path":"/opt/diff/ordern/cg/none"},{"path":"/linalg/diag/none/davidson/none"}],"modelCategories":{"subtype":"gga","tier1":"pb","tier2":"qm","tier3":"dft","type":"ksdft"}},{"filterRules":[{"path":"/qm/wf/none/pw/none"},{"regex":"\\/qm\\/wf\\/none\\/psp\\/.*"},{"regex":"\\/qm\\/wf\\/none\\/smearing\\/.*"},{"regex":"\\/qm\\/wf\\/none\\/tetrahedron\\/.*"},{"path":"/opt/diff/ordern/cg/none"},{"path":"/linalg/diag/none/davidson/none"},{"regex":"\\/qm\\/wf\\/none\\/ao\\/pople.*"}],"modelCategories":{"subtype":"hybrid","tier1":"pb","tier2":"qm","tier3":"dft","type":"ksdft"}},{"filterRules":[{"path":"/none/none/none/linear/least_squares"},{"path":"/none/none/none/linear/ridge"},{"path":"/none/none/none/kernel_ridge/least_squares"}],"modelCategories":{"tier1":"st","tier2":"det","tier3":"ml","type":"re"}}]
[{ "filterRules": [{ "path": "/qm/wf/none/pw/none" }, { "regex": "\\/qm\\/wf\\/none\\/psp\\/.*" }, { "regex": "\\/qm\\/wf\\/none\\/smearing\\/.*" }, { "regex": "\\/qm\\/wf\\/none\\/tetrahedron\\/.*" }, { "path": "/opt/diff/ordern/cg/none" }, { "path": "/linalg/diag/none/davidson/none" }], "modelCategories": { "tier1": "pb", "tier2": "qm", "tier3": "abin", "type": "gw" } }, { "filterRules": [{ "path": "/qm/wf/none/pw/none" }, { "regex": "\\/qm\\/wf\\/none\\/psp\\/.*" }, { "regex": "\\/qm\\/wf\\/none\\/smearing\\/.*" }, { "regex": "\\/qm\\/wf\\/none\\/tetrahedron\\/.*" }, { "path": "/opt/diff/ordern/cg/none" }, { "path": "/linalg/diag/none/davidson/none" }], "modelCategories": { "subtype": "lda", "tier1": "pb", "tier2": "qm", "tier3": "dft", "type": "ksdft" } }, { "filterRules": [{ "path": "/qm/wf/none/pw/none" }, { "regex": "\\/qm\\/wf\\/none\\/psp\\/.*" }, { "regex": "\\/qm\\/wf\\/none\\/smearing\\/.*" }, { "regex": "\\/qm\\/wf\\/none\\/tetrahedron\\/.*" }, { "path": "/opt/diff/ordern/cg/none" }, { "path": "/linalg/diag/none/davidson/none" }], "modelCategories": { "subtype": "gga", "tier1": "pb", "tier2": "qm", "tier3": "dft", "type": "ksdft" } }, { "filterRules": [{ "path": "/qm/wf/none/pw/none" }, { "regex": "\\/qm\\/wf\\/none\\/psp\\/.*" }, { "regex": "\\/qm\\/wf\\/none\\/smearing\\/.*" }, { "regex": "\\/qm\\/wf\\/none\\/tetrahedron\\/.*" }, { "path": "/opt/diff/ordern/cg/none" }, { "path": "/linalg/diag/none/davidson/none" }, { "regex": "\\/qm\\/wf\\/none\\/ao\\/pople.*" }], "modelCategories": { "subtype": "hybrid", "tier1": "pb", "tier2": "qm", "tier3": "dft", "type": "ksdft" } }, { "filterRules": [{ "path": "/none/none/none/linear/least_squares" }, { "path": "/none/none/none/linear/ridge" }, { "path": "/none/none/none/kernel_ridge/least_squares" }], "modelCategories": { "tier1": "st", "tier2": "det", "tier3": "ml", "type": "re" } }]
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@timurbazhirov timurbazhirov Jan 10, 2026

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Formatting is wrong.

2 changes: 1 addition & 1 deletion dist/js/runtime_data/subworkflows.json
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