AdaptiveMD
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  • installation
  • Examples Notebooks
    • Example 1 - Setup
    • Example 2 - Run
    • Example 3 - Adaptive
    • Example 4 - Tasks
      • AdaptiveMD
    • Example 5 - Generators
    • Example 6 - Multiple Output Types
  • Projects
  • Resources
  • Files
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  • Actions
  • Task
  • Engines
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  • Scheduler Functions
  • Workers
  • The folder structure
  • Why do we need a trajectory object?
  • Execution Plans
  • LogEntry Functions
  • AdaptiveMD (adaptivemd)
AdaptiveMD
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  • Example 4 - Tasks
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Example 4 - Tasks¶

  • AdaptiveMD
    • Example 4 - Custom Task objects
      • 0. Imports
    • A simple task
      • Modify a task
        • Add a bash line
        • Add staging actions
        • Local files
      • How does a real script look like
        • A note on file locations
      • A Task from scratch
    • The Python RPC Task
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© Copyright 2017, Jan-Hendrik Prinz, Frank Noé. Revision 186ffa09.

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