solvation_interface.h File Reference

#include <occ/core/linear_algebra.h>
#include <occ/scrf/surfaces.h>
#include <optional>
#include <string>

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Classes
class	occ::xtb::XtbSolvationModel
	Abstract interface for an implicit-solvent contribution to a GFN-xTB SCC. More...
class	occ::xtb::NullSolvationModel
	No-op solvation model — preserves gas-phase numbers. More...

Namespaces
namespace	occ
namespace	occ::xtb

Typedefs
using	occ::xtb::SolvationSurface = occ::scrf::SolvationSurface
	Per-element solvation surface data, consumed by the crystal-growth (occ::cg) energy decomposition.
using	occ::xtb::SolvationSurfaces = occ::scrf::SolvationSurfaces