Debug

Debug#

Many of these are meant to aid in method development, or for bug reports. They may degrade performance.

Configuration#

[Debug]
pydantic model eon.schema.DebugConfig[source]#

Show JSON schema
{
   "title": "DebugConfig",
   "type": "object",
   "properties": {
      "save_stdout": {
         "default": false,
         "description": "Save the standard output from the client to a file named stdout_0.dat.",
         "title": "Save Stdout",
         "type": "boolean"
      },
      "interactive_shell": {
         "default": true,
         "description": "Enable or disable the interactive shell.",
         "title": "Interactive Shell",
         "type": "boolean"
      },
      "result_files_path": {
         "default": "./debug_results/",
         "description": "Where to store all result files.",
         "title": "Result Files Path",
         "type": "string"
      },
      "use_mean_time": {
         "default": false,
         "description": "Select transition times from the mean of the exponential distribution of escape times.",
         "title": "Use Mean Time",
         "type": "boolean"
      },
      "register_extra_results": {
         "default": false,
         "description": "Register processes found for a state after leaving that state.",
         "title": "Register Extra Results",
         "type": "boolean"
      },
      "target_trajectory": {
         "default": false,
         "description": "Follow the state-to-state trajectory of another AKMC simulation.",
         "title": "Target Trajectory",
         "type": "boolean"
      },
      "keep_bad_saddles": {
         "default": false,
         "description": "Keep data about bad saddles. If true, the result files for failed saddle searches are kept in the badprocdata directory within the state directory for that search.",
         "title": "Keep Bad Saddles",
         "type": "boolean"
      },
      "keep_all_result_files": {
         "default": false,
         "description": "Stores all result files in main_directory/results.",
         "title": "Keep All Result Files",
         "type": "boolean"
      },
      "write_movies": {
         "default": false,
         "description": "Output a movie of the calculation.",
         "title": "Write Movies",
         "type": "boolean"
      },
      "write_movies_interval": {
         "default": 1,
         "description": "Write a movie frame every write_movies_interval steps.",
         "title": "Write Movies Interval",
         "type": "integer"
      },
      "stop_criterion": {
         "default": 100000000.0,
         "description": "Criterion to stop the calculation.",
         "title": "Stop Criterion",
         "type": "number"
      }
   }
}

Config:

  • use_attribute_docstrings: bool = True

Fields:
field interactive_shell: bool = True#

Enable or disable the interactive shell.

field keep_all_result_files: bool = False#

Stores all result files in main_directory/results.

field keep_bad_saddles: bool = False#

Keep data about bad saddles. If true, the result files for failed saddle searches are kept in the badprocdata directory within the state directory for that search.

field register_extra_results: bool = False#

Register processes found for a state after leaving that state.

field result_files_path: str = './debug_results/'#

Where to store all result files.

field save_stdout: bool = False#

Save the standard output from the client to a file named stdout_0.dat.

field stop_criterion: float = 100000000.0#

Criterion to stop the calculation.

field target_trajectory: bool = False#

Follow the state-to-state trajectory of another AKMC simulation.

field use_mean_time: bool = False#

Select transition times from the mean of the exponential distribution of escape times.

field write_movies: bool = False#

Output a movie of the calculation.

field write_movies_interval: int = 1#

Write a movie frame every write_movies_interval steps.

References#

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