Programmer’s Manual¶
Classes and functions reference¶
- Chemistry
- Environment
- Cavity
Cavity
Cavity::Cavity()
Cavity::Cavity()
Cavity::evalf()
Cavity::getCoordinates()
Cavity::getOriginalRadii()
Cavity::getRadii()
Cavity::getRadiiScalings()
Cavity::getWidths()
Cavity::getWidthScalings()
Cavity::radii_0
Cavity::alphas
Cavity::betas
Cavity::sigmas
Cavity::radii
Cavity::centers
Cavity::gradCavity()
- Permittivity
Permittivity
Permittivity::Permittivity()
Permittivity::evalf()
Permittivity::flipFunction()
Permittivity::isInverse()
Permittivity::getCoordinates()
Permittivity::getRadii()
Permittivity::getGradVector()
Permittivity::getEpsIn()
Permittivity::getEpsOut()
Permittivity::getCavity()
Permittivity::getFormulation()
Permittivity::printParameters()
Permittivity::inverse
Permittivity::epsilon_in
Permittivity::epsilon_out
Permittivity::formulation
Permittivity::cavity
- SCRF
- Cavity
- Initial Guess
- Properties
- Quantum Mechanical Functions
- QMOperators
- SCF Solver