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fix: resolve conflicts after merge
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@unsigned6
unsigned6 committed Nov 16, 2022
2 parents f82410c + 1884c92 commit 8dc5846
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Showing 4 changed files with 21 additions and 21 deletions.
2 changes: 1 addition & 1 deletion ...lectrostastatic_potential_find_minima.yml → ...e_electrostatic_potential_find_minima.yml
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Original file line number Diff line number Diff line change
Expand Up @@ -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:
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8 changes: 4 additions & 4 deletions assets/subworkflows/espresso/average_electrostatic_potential_via_band_structure.yml
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Original file line number Diff line number Diff line change
Expand Up @@ -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
Expand Down Expand Up @@ -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
10 changes: 5 additions & 5 deletions assets/workflows/espresso/valence_band_offset.yml
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Original file line number Diff line number Diff line change
Expand Up @@ -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:
Expand Down Expand Up @@ -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:
Expand Down Expand Up @@ -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:
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22 changes: 11 additions & 11 deletions src/workflows/workflows.js
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Original file line number Diff line number Diff line change
Expand Up @@ -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" },
Expand All @@ -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"]',
},
Expand All @@ -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: {
Expand Down Expand Up @@ -91,7 +91,7 @@ module.exports = {
{
config: {
execName: "average.x",
flavorName: "averaged_potential",
flavorName: "average_potential",
flowchartId: "average-electrostatic-potential",
name: "average ESP",
},
Expand All @@ -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",
},
Expand Down Expand Up @@ -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: [
{
Expand Down Expand Up @@ -1647,7 +1647,7 @@ module.exports = {
attributes: {
input: [
{
name: "averaged_potential_profile",
name: "average_potential_profile",
scope: "average-electrostatic-potential-left",
},
],
Expand All @@ -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: [
{
Expand Down Expand Up @@ -1744,7 +1744,7 @@ module.exports = {
attributes: {
input: [
{
name: "averaged_potential_profile",
name: "average_potential_profile",
scope: "average-electrostatic-potential-right",
},
],
Expand All @@ -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: [
{
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