occ::scrf Namespace Reference

Namespaces
namespace	detail
	Self-consistent reaction-field (SCRF) primitives shared between the HF/DFT-side occ::solvent::COSMO driver and the xTB-side CPCM-X / SMD implicit-solvation models.

Classes
struct	Options
	Construction options for ReactionFieldEngine. More...
class	ReactionFieldEngine
	Self-consistent reaction-field engine — owns the cavity, the COSMO/CPCM pre-factored response, and (optionally) the SMD CDS cavity. More...
struct	SolvationSurface
	Per-element solvation surface data — the unified Phase-3 shape consumed by occ::cg energy decomposition and Phase-7D-style per-element reporting. More...
struct	SolvationSurfaces
	Bundle of optional surfaces — coulomb is the electrostatic cavity, cds is the SMD cavitation-dispersion-solvent-rearrangement cavity. More...