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fix: resolve conflicts after merge
2 parents f82410c + 1884c92 commit 8dc5846

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+21
-21
lines changed

4 files changed

+21
-21
lines changed

‎assets/subworkflows/espresso/average_electrostastatic_potential_find_minima.yml renamed to ‎assets/subworkflows/espresso/average_electrostatic_potential_find_minima.yml

Lines changed: 1 addition & 1 deletion
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@@ -18,7 +18,7 @@ units:
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flowchartId: python-find-extrema
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type: executionBuilder
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- config:
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name: Set Averaged ESP Value
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name: Set Average ESP Value
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operand: AVG_ESP
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value: 'json.loads(STDOUT)["minima"]'
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input:

‎assets/subworkflows/espresso/average_electrostatic_potential_via_band_structure.yml

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@@ -7,7 +7,7 @@ method:
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name: PseudopotentialMethod
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model:
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name: DFTModel
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name: Band Structure + averaged ESP
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name: Band Structure + average ESP
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units:
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- config:
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name: Set Material Index
@@ -53,15 +53,15 @@ units:
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type: executionBuilder
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- config:
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execName: average.x
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flavorName: averaged_potential
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flavorName: average_potential
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name: average ESP
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flowchartId: average-electrostatic-potential
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type: executionBuilder
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- config:
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name: Set Macroscopically Averaged ESP Data
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operand: array_from_context
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value: 'averaged_potential_profile["yDataSeries"][1]'
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value: 'average_potential_profile["yDataSeries"][1]'
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input:
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- name: averaged_potential_profile
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- name: average_potential_profile
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scope: average-electrostatic-potential
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type: assignment

‎assets/workflows/espresso/valence_band_offset.yml

Lines changed: 5 additions & 5 deletions
Original file line numberDiff line numberDiff line change
@@ -29,7 +29,7 @@ units:
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attributes:
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name: Set Material Index (Interface)
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value: '0'
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- name: average_electrostastatic_potential_find_minima
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- name: average_electrostatic_potential_find_minima
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type: subworkflow
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config:
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attributes:
@@ -81,9 +81,9 @@ units:
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config:
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attributes:
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input:
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- name: averaged_potential_profile
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- name: average_potential_profile
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scope: average-electrostatic-potential-left
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- name: average_electrostastatic_potential_find_minima
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- name: average_electrostatic_potential_find_minima
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type: subworkflow
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config:
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attributes:
@@ -143,9 +143,9 @@ units:
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config:
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attributes:
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input:
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- name: averaged_potential_profile
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- name: average_potential_profile
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scope: average-electrostatic-potential-right
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- name: average_electrostastatic_potential_find_minima
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- name: average_electrostatic_potential_find_minima
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type: subworkflow
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config:
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attributes:

‎src/workflows/workflows.js

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Original file line numberDiff line numberDiff line change
@@ -2,7 +2,7 @@ module.exports = {
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workflowData: {
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subworkflows: {
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espresso: {
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average_electrostastatic_potential_find_minima: {
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average_electrostatic_potential_find_minima: {
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application: { name: "python", version: "3.8.6" },
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method: { name: "UnknownMethod" },
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model: { name: "UnknownModel" },
@@ -20,7 +20,7 @@ module.exports = {
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{
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config: {
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input: [{ name: "STDOUT", scope: "python-find-extrema" }],
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name: "Set Averaged ESP Value",
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name: "Set Average ESP Value",
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operand: "AVG_ESP",
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value: 'json.loads(STDOUT)["minima"]',
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},
@@ -33,7 +33,7 @@ module.exports = {
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config: { isMultiMaterial: true },
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method: { name: "PseudopotentialMethod" },
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model: { name: "DFTModel" },
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name: "Band Structure + averaged ESP",
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name: "Band Structure + average ESP",
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units: [
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{
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config: {
@@ -91,7 +91,7 @@ module.exports = {
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{
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config: {
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execName: "average.x",
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flavorName: "averaged_potential",
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flavorName: "average_potential",
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flowchartId: "average-electrostatic-potential",
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name: "average ESP",
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},
@@ -101,13 +101,13 @@ module.exports = {
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config: {
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input: [
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{
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name: "averaged_potential_profile",
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name: "average_potential_profile",
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scope: "average-electrostatic-potential",
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},
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],
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name: "Set Macroscopically Averaged ESP Data",
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operand: "array_from_context",
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value: 'averaged_potential_profile["yDataSeries"][1]',
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value: 'average_potential_profile["yDataSeries"][1]',
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},
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type: "assignment",
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},
@@ -1580,7 +1580,7 @@ module.exports = {
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},
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{
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config: { attributes: { name: "Find ESP Values (Interface)" } },
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name: "average_electrostastatic_potential_find_minima",
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name: "average_electrostatic_potential_find_minima",
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type: "subworkflow",
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unitConfigs: [
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{
@@ -1647,7 +1647,7 @@ module.exports = {
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attributes: {
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input: [
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{
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name: "averaged_potential_profile",
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name: "average_potential_profile",
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scope: "average-electrostatic-potential-left",
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},
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],
@@ -1660,7 +1660,7 @@ module.exports = {
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},
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{
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config: { attributes: { name: "Find ESP Value (Interface left)" } },
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name: "average_electrostastatic_potential_find_minima",
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name: "average_electrostatic_potential_find_minima",
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type: "subworkflow",
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unitConfigs: [
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{
@@ -1744,7 +1744,7 @@ module.exports = {
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attributes: {
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input: [
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{
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name: "averaged_potential_profile",
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name: "average_potential_profile",
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scope: "average-electrostatic-potential-right",
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},
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],
@@ -1757,7 +1757,7 @@ module.exports = {
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},
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{
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config: { attributes: { name: "Find ESP Value (Interface right)" } },
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name: "average_electrostastatic_potential_find_minima",
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name: "average_electrostatic_potential_find_minima",
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type: "subworkflow",
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unitConfigs: [
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{

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