occ::cg::components Namespace Reference

Variables
constexpr const char *	total = "Total"
constexpr const char *	crystal_total = "Crystal Total"
constexpr const char *	crystal_nn = "Crystal (redistributed)"
constexpr const char *	solvation_ab = "Solvation (A->B)"
constexpr const char *	solvation_ba = "Solvation (B->A)"
constexpr const char *	solvation_total = "Solvation Total"
constexpr const char *	coulomb = "Coulomb"
constexpr const char *	polarization = "Polarization"
constexpr const char *	dispersion = "Dispersion"
constexpr const char *	repulsion = "Repulsion"
constexpr const char *	exchange = "Exchange"
constexpr const char *	descriptor_prefix = "descriptor:"
	Descriptors are merged into the dimer's interaction map under this prefix so surface-level code can tell them apart from energies.

Variable Documentation

coulomb

const char* occ::cg::components::coulomb = "Coulomb"

constexpr

crystal_nn

const char* occ::cg::components::crystal_nn = "Crystal (redistributed)"

constexpr

crystal_total

const char* occ::cg::components::crystal_total = "Crystal Total"

constexpr

descriptor_prefix

const char* occ::cg::components::descriptor_prefix = "descriptor:"

constexpr

Descriptors are merged into the dimer's interaction map under this prefix so surface-level code can tell them apart from energies.

dispersion

const char* occ::cg::components::dispersion = "Dispersion"

constexpr

exchange

const char* occ::cg::components::exchange = "Exchange"

constexpr

polarization

const char* occ::cg::components::polarization = "Polarization"

constexpr

repulsion

const char* occ::cg::components::repulsion = "Repulsion"

constexpr

solvation_ab

const char* occ::cg::components::solvation_ab = "Solvation (A->B)"

constexpr

solvation_ba

const char* occ::cg::components::solvation_ba = "Solvation (B->A)"

constexpr

solvation_total

const char* occ::cg::components::solvation_total = "Solvation Total"

constexpr

total

const char* occ::cg::components::total = "Total"

constexpr