This module contains code that implements general infrastructure for mdrun that does not suit any other module.
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file | freeenergy.cpp |
| Defines helper functions for mdrun pertaining to free energy calculations.
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file | freeenergy.h |
| Declares helper functions for mdrun pertaining to free energy calculations.
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file | handlerestart.cpp |
| This file declares functions for mdrun to call to manage the details of doing a restart (ie. reading checkpoints, appending output files).
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file | handlerestart.h |
| This file declares functions for mdrun to call to manage the details of doing a restart (ie. reading checkpoints, appending output files).
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file | logging.cpp |
| Implements the MD log file handling routines.
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file | logging.h |
| Declares the MD log file handling routines.
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file | multisim.cpp |
| Implements the multi-simulation support routines.
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file | multisim.h |
| Declares the multi-simulation support routines.
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file | printtime.h |
| Declares functions that write timestamps to e.g. log files.
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file | threadaffinity.h |
| Declares functions for managing mdrun thread affinity.
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