Gromacs
2026.0-dev-20241204-d69d709
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#include <gromacs/mdrunutility/mdmodulesnotifiers.h>
Collect errors for the energy calculation frequency.
Collect errors regarding energy calculation frequencies as strings that then may be used to issue errors.
Public Member Functions | |
EnergyCalculationFrequencyErrors (int64_t energyCalculationIntervalInSteps) | |
Construct by setting the energy calculation frequency. | |
std::int64_t | energyCalculationIntervalInSteps () const |
Return the number of steps of an energy calculation interval. | |
void | addError (const std::string &errorMessage) |
Collect error messages. | |
const std::vector< std::string > & | errorMessages () const |
Return error messages. | |