occ::solvent::cosmors::ActivityOptions Struct Reference

Controls for the segment activity fixed point. More...

#include <cosmors.h>

Public Attributes
double	temperature {298.15}
double	mixing {0.7}
	successive-substitution damping
double	tolerance {1e-12}
	on max relative change in Γ
int	max_iterations {5000}
bool	throw_on_failure {true}

Detailed Description

Controls for the segment activity fixed point.

Member Data Documentation

max_iterations

int occ::solvent::cosmors::ActivityOptions::max_iterations {5000}

mixing

double occ::solvent::cosmors::ActivityOptions::mixing {0.7}

successive-substitution damping

temperature

double occ::solvent::cosmors::ActivityOptions::temperature {298.15}

throw_on_failure

bool occ::solvent::cosmors::ActivityOptions::throw_on_failure {true}

tolerance

double occ::solvent::cosmors::ActivityOptions::tolerance {1e-12}

on max relative change in Γ

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The documentation for this struct was generated from the following file:

• /home/runner/work/occ/occ/include/occ/solvent/cosmors.h