#include <BALL/SOLVATION/pierottiCavFreeEnergyProcessor.h>
Symbolic names for option keys. This struct contains a symbolic name for each recognized key in PierottiCavFreeEnergyProcessor::options.
Definition at line 42 of file pierottiCavFreeEnergyProcessor.h.
§ ABSOLUTE_TEMPERATURE
const char* BALL::PierottiCavFreeEnergyProcessor::Option::ABSOLUTE_TEMPERATURE |
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§ PRESSURE
const char* BALL::PierottiCavFreeEnergyProcessor::Option::PRESSURE |
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§ PROBE_RADIUS
const char* BALL::PierottiCavFreeEnergyProcessor::Option::PROBE_RADIUS |
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The probe radius. This option defines the hard sphere solvent radius needed for the calculation of the cavitation free energy according to the scaled particle theory. Use float values of unit $ A $ with this option.
- See also
- Default::PROBE_RADIUS
- Parameters
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Definition at line 83 of file pierottiCavFreeEnergyProcessor.h.
§ SOLVENT_NUMBER_DENSITY
const char* BALL::PierottiCavFreeEnergyProcessor::Option::SOLVENT_NUMBER_DENSITY |
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§ VERBOSITY
const char* BALL::PierottiCavFreeEnergyProcessor::Option::VERBOSITY |
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