91 lines
1.9 KiB
JSON
91 lines
1.9 KiB
JSON
{
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// line comments using // or # prefix are allowed as an extension of JSON syntax
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"project": {
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"__module__": "projects.twoatom.twoatom",
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"__class__": "TwoatomProject",
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"job_name": "twoatom0001",
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"job_tags": [],
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"description": "",
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"mode": "single",
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"directories": {
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"data": "",
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"output": ""
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},
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"keep_files": [
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"cluster",
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"model",
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"scan",
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"report",
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"population"
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],
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"keep_best": 10,
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"keep_levels": 1,
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"time_limit": 24,
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"log_file": "",
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"log_level": "WARNING",
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"cluster_generator": {
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"__class__": "TwoatomCluster",
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"atom_types": {
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"A": "N",
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"B": "Ni"
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},
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"model_dict": {
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"dAB": "dNNi",
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"th": "pNNi",
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"ph": "aNNi"
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}
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},
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"atomic_scattering_factory": "InternalAtomicCalculator",
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"multiple_scattering_factory": "EdacCalculator",
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"model_space": {
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"dNNi": {
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"start": 2.109,
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"min": 2.0,
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"max": 2.25,
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"step": 0.05
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},
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"pNNi": {
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"start": 15.0,
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"min": 0.0,
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"max": 30.0,
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"step": 1.0
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},
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"V0": {
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"start": 21.966,
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"min": 15.0,
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"max": 25.0,
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"step": 1.0
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},
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"Zsurf": {
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"start": 1.449,
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"min": 0.5,
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"max": 2.0,
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"step": 0.25
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}
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},
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"domains": [
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{
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"default": 0.0
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}
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],
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"scans": [
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{
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// class name as it would be used in the project module
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"__class__": "mp.ScanLoader",
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// any placeholder key from project.directories can be used
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"filename": "{project}/twoatom_hemi_250e.etpi",
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"emitter": "N",
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"initial_state": "1s",
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"is_modf": false
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}
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],
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"optimizer_params": {
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"pop_size": 0,
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"seed_file": "",
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"seed_limit": 0,
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"recalc_seed": true,
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"table_file": ""
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}
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}
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}
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