#include <BALL/SOLVATION/reissCavFreeEnergyProcessor.h>
Symbolic names for option keys. This struct contains a symbolic name for each recognized key in ReissCavFreeEnergyProcessor::options.
Definition at line 43 of file reissCavFreeEnergyProcessor.h.
§ ABSOLUTE_TEMPERATURE
const char* BALL::ReissCavFreeEnergyProcessor::Option::ABSOLUTE_TEMPERATURE |
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§ PRESSURE
const char* BALL::ReissCavFreeEnergyProcessor::Option::PRESSURE |
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The pressure. With this option it is possible to define the pressure under which the solvation takes place. Use float values of unit Pa with this option.
- See also
- Default::PRESSURE
- Parameters
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Definition at line 67 of file reissCavFreeEnergyProcessor.h.
§ PROBE_RADIUS
const char* BALL::ReissCavFreeEnergyProcessor::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 84 of file reissCavFreeEnergyProcessor.h.
§ SOLVENT_NUMBER_DENSITY
const char* BALL::ReissCavFreeEnergyProcessor::Option::SOLVENT_NUMBER_DENSITY |
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§ VERBOSITY
const char* BALL::ReissCavFreeEnergyProcessor::Option::VERBOSITY |
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