{
  "#comment": "keys starting with a non-alphabetic character are treated as a comment",
  "schedule": {
    "__module__": "pmsco.schedule",
    "__class__": "PsiRaSchedule",
    "tasks": 1,
    "nodes": 1,
    "wall_time": "1:00",
    "manual": true,
    "enabled": true,
    "overwrite_job_dir": true
  },
  "project": {
    "__module__": "pmsco.projects.twoatom.twoatom",
    "__class__": "TwoatomProject",
    "job_name": "twoatom0001",
    "job_tags": {},
    "description": "",
    "mode": "single",
    "directories": {
      "data": "",
      "output": "${work}/${job_name}"
    },
    "keep_files": [
      "all",
      "cluster",
      "model",
      "scan",
      "report",
      "population"
    ],
    "keep_best": 10,
    "keep_levels": 1,
    "time_limit": 24,
    "log_file": "",
    "log_level": "WARNING",
    "cluster_generator": {
      "__class__": "TwoatomCluster",
      "atom_types": {
        "A": "N",
        "B": "Ni"
      },
      "model_dict": {
        "dAB": "dNNi",
        "th": "pNNi",
        "ph": "aNNi"
      }
    },
    "atomic_scattering_factory": "InternalAtomicCalculator",
    "multiple_scattering_factory": "EdacCalculator",
    "model_space": {
        "dNNi": {
          "start": 2.109,
          "min": 2.0,
          "max": 2.25,
          "step": 0.05
        },
        "pNNi": {
          "start": 15.0,
          "min": 0.0,
          "max": 30.0,
          "step": 1.0
        },
        "V0": {
          "start": 21.966,
          "min": 15.0,
          "max": 25.0,
          "step": 1.0
        },
        "Zsurf": {
          "start": 1.449,
          "min": 0.5,
          "max": 2.0,
          "step": 0.25
        }
    },
    "domains": [
      {
        "default": 0.0
      }
    ],
    "scans": [
      {
        "__class__": "HoloScanCreator",
        "filename": "${project}/twoatom_demo.etpi",
        "emitter": "N",
        "initial_state": "1s",
        "generator": "pmsco.data.holo_grid",
        "generator_args": {
          "theta_start": 90,
          "theta_step": 1,
          "theta_range": 90,
          "phi_start": 0,
          "phi_range": 360,
          "phi_refinement": 1
        },
        "other_positions": {"e": 250, "a": 0},
        "modulation_func": "pmsco.data.calc_modfunc_loess",
        "modulation_args": {"smth": 0.5},
        "rfactor_func": "pmsco.data.square_diff_rfactor"
      }
    ],
    "optimizer_params": {
      "pop_size": 0,
      "seed_file": "",
      "seed_limit": 0,
      "recalc_seed": true,
      "table_file": ""
    }
  }
}