|
9 | 9 | {"id": 6, "type": "function", "value": "workflow.calculate_qe"}, |
10 | 10 | {"id": 7, "type": "function", "value": "workflow.calculate_qe"}, |
11 | 11 | {"id": 8, "type": "function", "value": "workflow.plot_energy_volume_curve"}, |
12 | | - {"id": 9, "type": "input", "value": "Al"}, |
13 | | - {"id": 10, "type": "input", "value": 4.05}, |
14 | | - {"id": 11, "type": "input", "value": true}, |
15 | | - {"id": 12, "type": "input", "value": "mini"}, |
| 12 | + {"id": 9, "type": "input", "value": "Al", "name": "element"}, |
| 13 | + {"id": 10, "type": "input", "value": 4.05, "name": "a"}, |
| 14 | + {"id": 11, "type": "input", "value": true, "name": "cubic"}, |
| 15 | + {"id": 12, "type": "input", "value": "mini", "name": "working_directory_0"}, |
16 | 16 | {"id": 13, "type": "function", "value": "python_workflow_definition.shared.get_dict"}, |
17 | | - {"id": 14, "type": "input", "value": {"Al": "Al.pbe-n-kjpaw_psl.1.0.0.UPF"}}, |
18 | | - {"id": 15, "type": "input", "value": [3, 3, 3]}, |
19 | | - {"id": 16, "type": "input", "value": "vc-relax"}, |
20 | | - {"id": 17, "type": "input", "value": 0.02}, |
21 | | - {"id": 18, "type": "input", "value": [0.9, 0.95, 1.0, 1.05, 1.1]}, |
22 | | - {"id": 19, "type": "input", "value": "strain_0"}, |
| 17 | + {"id": 14, "type": "input", "value": {"Al": "Al.pbe-n-kjpaw_psl.1.0.0.UPF"}, "name": "pseudopotentials"}, |
| 18 | + {"id": 15, "type": "input", "value": [3, 3, 3], "name": "kpts"}, |
| 19 | + {"id": 16, "type": "input", "value": "vc-relax", "name": "calculation_0"}, |
| 20 | + {"id": 17, "type": "input", "value": 0.02, "name": "smearing"}, |
| 21 | + {"id": 18, "type": "input", "value": [0.9, 0.95, 1.0, 1.05, 1.1], "name": "strain_lst"}, |
| 22 | + {"id": 19, "type": "input", "value": "strain_0", "name": "working_directory_1"}, |
23 | 23 | {"id": 20, "type": "function", "value": "python_workflow_definition.shared.get_dict"}, |
24 | | - {"id": 21, "type": "input", "value": "scf"}, |
25 | | - {"id": 22, "type": "input", "value": "strain_1"}, |
| 24 | + {"id": 21, "type": "input", "value": "scf", "name": "calculation_1"}, |
| 25 | + {"id": 22, "type": "input", "value": "strain_1", "name": "working_directory_2"}, |
26 | 26 | {"id": 23, "type": "function", "value": "python_workflow_definition.shared.get_dict"}, |
27 | | - {"id": 24, "type": "input", "value": "strain_2"}, |
| 27 | + {"id": 24, "type": "input", "value": "strain_2", "name": "working_directory_3"}, |
28 | 28 | {"id": 25, "type": "function", "value": "python_workflow_definition.shared.get_dict"}, |
29 | | - {"id": 26, "type": "input", "value": "strain_3"}, |
| 29 | + {"id": 26, "type": "input", "value": "strain_3", "name": "working_directory_4"}, |
30 | 30 | {"id": 27, "type": "function", "value": "python_workflow_definition.shared.get_dict"}, |
31 | | - {"id": 28, "type": "input", "value": "strain_4"}, |
| 31 | + {"id": 28, "type": "input", "value": "strain_4", "name": "working_directory_5"}, |
32 | 32 | {"id": 29, "type": "function", "value": "python_workflow_definition.shared.get_dict"}, |
33 | 33 | {"id": 30, "type": "function", "value": "python_workflow_definition.shared.get_list"}, |
34 | 34 | {"id": 31, "type": "function", "value": "python_workflow_definition.shared.get_list"} |
|
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