Gromacs
2026.0-dev-20250207-8469bad
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#include <gromacs/mdrunutility/mdmodulesnotifiers.h>
Check if NNPot module outputs energy to a specific field.
Ensures that energy is output for NNPot module.
Public Attributes | |
bool | energyOutputToNNPot_ = false |
Trigger output to NNPot energy field. | |