Module: AimsProject
- Defined in:
- lib/aims_project.rb,
lib/aims_project/octree.rb,
lib/aims_project/project.rb,
lib/aims_project/version.rb,
lib/aims_project/material.rb,
lib/aims_project/inspector.rb,
lib/aims_project/calculation.rb,
lib/aims_project/project_tree.rb,
lib/aims_project/geometry_file.rb,
lib/aims_project/app_controller.rb,
lib/aims_project/crystal_viewer.rb,
lib/aims_project/geometry_editor.rb,
lib/aims_project/geometry_window.rb,
lib/aims_project/calculation_tree.rb,
lib/aims_project/geometry_console.rb,
lib/aims_project/calculation_window.rb,
lib/aims_project/aims_project_geometry.rb,
lib/aims_project/thread_callback_event.rb,
lib/aims_project/aims_project_exception.rb,
lib/aims_project/crystal_viewer_options.rb
Overview
A calculation is a combination of a geometry, a control file, and an output Each calculation runs in its own directory A special file named .calc_status in the calculation directory reveals the status of the calculation The format of this file is still under consideration. possible options are:
• A single word indicating the status
• A single word on the first line and unstructured text following (for comments, history, errors)
• YAML
The calculation progresses through the following state machine
STAGED:
This is the initial stage, before the calculation has been
moved to the computation server and queued for execution.
Valid inputs are CANCEL, ENQUEUE
QUEUED:
Calculation is uploaded to computation server and queued for execution.
Valid inputs are CANCEL, PROGRESS
RUNNING:
Calculation is in progress.
Valid inputs are CANCEL
COMPLETE:
Calculation is completed
No valid inputs
ABORTED:
Defined Under Namespace
Classes: AimsProjectException, AimsProjectGeometry, AppController, Calculation, CalculationTree, CalculationWindow, CommandHistory, CorruptObjectFileException, CrystalViewer, CrystalViewerOptions, GeometryConsole, GeometryEditor, GeometryEvaluationException, GeometryFile, GeometryValidationException, GeometryWindow, Inspector, InvalidFilenameException, Material, ObjectFileNotFoundException, Octree, Project, ProjectTree, ThreadCallbackEvent
Constant Summary collapse
- STAGED =
Constants
"STAGED"
- HOLD =
"HOLD"
- QUEUED =
"QUEUED"
- RUNNING =
"RUNNING"
- COMPLETE =
"COMPLETE"
- ABORTED =
"ABORTED"
- CANCELED =
"CANCELED"
- CONFIG_DIR =
"config"
- CALCULATION_DIR =
"calculations"
- GEOMETRY_DIR =
"geometry"
- CONTROL_DIR =
"control"
- CALC_STATUS_FILENAME =
"calc_status.yaml"
- PROJECT_VARIABLES_FILENAME =
"project_vars.rb"
- GLOBAL_CONFIG_DIR =
File.join(ENV["HOME"], ".aims_project")
- GLOBAL_VARIABLES_FILENAME =
"aims_project_vars.rb"
- VERSION =
"0.3.4"