Programmer’s Manual¶
Classes and functions reference¶
- Chemistry
- Environment
- Cavity
CavityCavity::Cavity()Cavity::Cavity()Cavity::evalf()Cavity::getCoordinates()Cavity::getOriginalRadii()Cavity::getRadii()Cavity::getRadiiScalings()Cavity::getWidths()Cavity::getWidthScalings()Cavity::radii_0Cavity::alphasCavity::betasCavity::sigmasCavity::radiiCavity::centersCavity::gradCavity()
- Permittivity
PermittivityPermittivity::Permittivity()Permittivity::evalf()Permittivity::flipFunction()Permittivity::isInverse()Permittivity::getCoordinates()Permittivity::getRadii()Permittivity::getGradVector()Permittivity::getEpsIn()Permittivity::getEpsOut()Permittivity::getCavity()Permittivity::getFormulation()Permittivity::printParameters()Permittivity::inversePermittivity::epsilon_inPermittivity::epsilon_outPermittivity::formulationPermittivity::cavity
- SCRF
- Cavity
- Initial Guess
- Properties
- Quantum Mechanical Functions
- QMOperators
- SCF Solver