Variables
const double	pi = 3.14159265358979323846264338328
	Mathematical constant pi. More...

const double	calorie_joule_relationship = 4.184000000

const double	Debye = 3.335640035e-30

const double	atomic_mass_constant = 1.660538782e-27

const double	atomic_unit_of_1st_hyperpolarizablity = 3.206361533e-53

const double	atomic_unit_of_2nd_hyperpolarizablity = 6.23538095e-65

const double	atomic_unit_of_action = 1.054571628e-34

const double	atomic_unit_of_charge = 1.602176487e-19

const double	atomic_unit_of_charge_density = 1.081202300e12

const double	atomic_unit_of_current = 6.62361763e-3

const double	atomic_unit_of_electric_dipole_moment = 8.47835281e-30

const double	atomic_unit_of_electric_quadrupole_moment = 4.48655107e-40

const double	atomic_unit_of_electric_field = 5.14220632e11

const double	atomic_unit_of_electric_field_gradient = 9.71736166e21

const double	atomic_unit_of_electric_polarizablity = 1.6487772536e-41

const double	atomic_unit_of_electric_potential = 27.21138386

const double	atomic_unit_of_energy = 4.35974394e-18

const double	atomic_unit_of_force = 8.23872206e-8

const double	atomic_unit_of_length = 0.52917720859e-10

const double	atomic_unit_of_magnetic_dipole_moment = 1.854801830e-23

const double	atomic_unit_of_magnetic_flux_density = 2.350517382e5

const double	atomic_unit_of_magnetizability = 7.891036433e-29

const double	atomic_unit_of_mass = 9.10938215e-31

const double	atomic_unit_of_momentum = 1.992851565e-24

const double	atomic_unit_of_permittivity = 1.112650056e-10

const double	atomic_unit_of_time = 2.418884326505e-17

const double	atomic_unit_of_velocity = 2.1876912541e6

const double	Avogadro_constant = 6.02214179e23

const double	Bohr_magneton = 927.400915e-26

const double	Bohr_radius = 0.52917720859e-10

const double	Boltzmann_constant = 1.3806504e-23

const double	Compton_wavelength = 2.4263102175e-12

const double	conductance_quantum = 7.7480917004e-5

const double	electron_g_factor = -2.0023193043622

const double	electron_gyromagnetic_ratio = 1.760859770e11

const double	electron_magnetic_moment = -928.476377e-26

const double	electron_magnetic_moment_anomaly = 1.15965218111e-3

const double	electron_magnetic_moment_to_Bohr_magneton_ratio = -1.00115965218111

const double	electron_magnetic_moment_to_nuclear_magneton_ratio = -1838.28197092

const double	electron_mass = 9.10938215e-31

const double	electron_proton_mass_ratio = 5.4461702177e-4

const double	electron_volt = 1.602176487e-19

const double	electron_volt_hartree_relationship = 3.674932540e-2

const double	electron_volt_hertz_relationship = 2.417989454e14

const double	electron_volt_joule_relationship = 1.602176487e-19

const double	elementary_charge = 1.602176487e-19

const double	Faraday_constant = 96485.3399

const double	Fermi_coupling_constant = 1.16637e-5

const double	fine_structure_constant = 7.2973525376e-3

const double	hartree_electron_volt_relationship = 27.21138386

const double	Hartree_energy = 4.35974394e-18

const double	hartree_hertz_relationship = 6.579683920722e15

const double	hartree_inverse_meter_relationship = 2.194746313705e7

const double	hartree_joule_relationship = 4.35974394e-18

const double	hartree_kelvin_relationship = 3.1577465e5

const double	hertz_electron_volt_relationship = 4.13566733e-15

const double	hertz_hartree_relationship = 1.519829846006e-16

const double	hertz_joule_relationship = 6.62606896e-34

const double	hertz_kelvin_relationship = 4.7992374e-11

const double	nuclear_magneton = 5.05078324e-27

const double	nuclear_magneton_in_eV_per_T = 3.1524512326e-8

const double	Planck_constant = 6.62606896e-34

const double	Planck_constant_over_2_pi = 1.054571628e-34

const double	proton_electron_mass_ratio = 1836.15267247

const double	proton_g_factor = 5.585694713

const double	proton_gyromagnetic_ratio = 2.675222099e8

const double	proton_magnetic_moment = 1.410606662e-26

const double	proton_mass = 1.672621637e-27

const double	Rydberg_constant = 10973731.568527

const double	speed_of_light_in_vacuum = 299792458

const double	Stefan_Boltzmann_constant = 5.670400e-8

const double	unified_atomic_mass_unit = 1.660538782e-27

Variable Documentation

const double madness::constants::atomic_mass_constant = 1.660538782e-27

const double madness::constants::atomic_unit_of_1st_hyperpolarizablity = 3.206361533e-53

const double madness::constants::atomic_unit_of_2nd_hyperpolarizablity = 6.23538095e-65

const double madness::constants::atomic_unit_of_action = 1.054571628e-34

const double madness::constants::atomic_unit_of_charge = 1.602176487e-19

const double madness::constants::atomic_unit_of_charge_density = 1.081202300e12

const double madness::constants::atomic_unit_of_current = 6.62361763e-3

const double madness::constants::atomic_unit_of_electric_dipole_moment = 8.47835281e-30

const double madness::constants::atomic_unit_of_electric_field = 5.14220632e11

const double madness::constants::atomic_unit_of_electric_field_gradient = 9.71736166e21

const double madness::constants::atomic_unit_of_electric_polarizablity = 1.6487772536e-41

const double madness::constants::atomic_unit_of_electric_potential = 27.21138386

const double madness::constants::atomic_unit_of_electric_quadrupole_moment = 4.48655107e-40

const double madness::constants::atomic_unit_of_energy = 4.35974394e-18

const double madness::constants::atomic_unit_of_force = 8.23872206e-8

const double madness::constants::atomic_unit_of_length = 0.52917720859e-10

Referenced by madness::Molecule::add_atom(), MolecularEntity::read_file(), Molecule::read_file(), and madness::Molecule::read_file().

const double madness::constants::atomic_unit_of_magnetic_dipole_moment = 1.854801830e-23

const double madness::constants::atomic_unit_of_magnetic_flux_density = 2.350517382e5

const double madness::constants::atomic_unit_of_magnetizability = 7.891036433e-29

const double madness::constants::atomic_unit_of_mass = 9.10938215e-31

const double madness::constants::atomic_unit_of_momentum = 1.992851565e-24

const double madness::constants::atomic_unit_of_permittivity = 1.112650056e-10

const double madness::constants::atomic_unit_of_time = 2.418884326505e-17

const double madness::constants::atomic_unit_of_velocity = 2.1876912541e6

const double madness::constants::Avogadro_constant = 6.02214179e23

const double madness::constants::Bohr_magneton = 927.400915e-26

const double madness::constants::Bohr_radius = 0.52917720859e-10

const double madness::constants::Boltzmann_constant = 1.3806504e-23

const double madness::constants::calorie_joule_relationship = 4.184000000

const double madness::constants::Compton_wavelength = 2.4263102175e-12

const double madness::constants::conductance_quantum = 7.7480917004e-5

const double madness::constants::Debye = 3.335640035e-30

const double madness::constants::electron_g_factor = -2.0023193043622

const double madness::constants::electron_gyromagnetic_ratio = 1.760859770e11

const double madness::constants::electron_magnetic_moment = -928.476377e-26

const double madness::constants::electron_magnetic_moment_anomaly = 1.15965218111e-3

const double madness::constants::electron_magnetic_moment_to_Bohr_magneton_ratio = -1.00115965218111

const double madness::constants::electron_magnetic_moment_to_nuclear_magneton_ratio = -1838.28197092

const double madness::constants::electron_mass = 9.10938215e-31

const double madness::constants::electron_proton_mass_ratio = 5.4461702177e-4

const double madness::constants::electron_volt = 1.602176487e-19

const double madness::constants::electron_volt_hartree_relationship = 3.674932540e-2

const double madness::constants::electron_volt_hertz_relationship = 2.417989454e14

const double madness::constants::electron_volt_joule_relationship = 1.602176487e-19

const double madness::constants::elementary_charge = 1.602176487e-19

const double madness::constants::Faraday_constant = 96485.3399

const double madness::constants::Fermi_coupling_constant = 1.16637e-5

const double madness::constants::fine_structure_constant = 7.2973525376e-3

const double madness::constants::hartree_electron_volt_relationship = 27.21138386

const double madness::constants::Hartree_energy = 4.35974394e-18

const double madness::constants::hartree_hertz_relationship = 6.579683920722e15

const double madness::constants::hartree_inverse_meter_relationship = 2.194746313705e7

const double madness::constants::hartree_joule_relationship = 4.35974394e-18

const double madness::constants::hartree_kelvin_relationship = 3.1577465e5

const double madness::constants::hertz_electron_volt_relationship = 4.13566733e-15

const double madness::constants::hertz_hartree_relationship = 1.519829846006e-16

const double madness::constants::hertz_joule_relationship = 6.62606896e-34

const double madness::constants::hertz_kelvin_relationship = 4.7992374e-11

const double madness::constants::nuclear_magneton = 5.05078324e-27

const double madness::constants::nuclear_magneton_in_eV_per_T = 3.1524512326e-8

const double madness::constants::pi = 3.14159265358979323846264338328

Mathematical constant pi.

Referenced by area_two_spheres(), calcEpshat(), charge_function(), madness::trajectory< NDIM >::circle2(), madness::trajectory< NDIM >::circle_6d(), madness::MP2::compute_gQf(), compute_madelung_energy(), compute_madelung_energy_PWSCF(), converge(), madness::GFit< T, NDIM >::CoulombFit(), DBF::DBF(), MolecularMaskBase::dmask(), madness::GaussianDomainMask::dmask(), madness::GaussianDomainMask::dsurface(), electronic_charge_function(), madness::CoreOrbital::eval_radial(), madness::CoreOrbital::eval_radial_derivative(), gen_ce(), generate_G_vectors(), madness::Solver< T, NDIM >::genkmesh(), madness::GaussianConvolution1DCache< Q >::get(), TipMolecule::Inhomogeneity(), madness::Solver< T, NDIM >::init(), madness::TwoElectronInterface< double, 6 >::initialize(), laser(), main(), SVPEColloidSolver::make_electric_field(), nuc_func(), nuclear_charge_function(), gauss_function::operator()(), madness::ProjRLMFunctor::operator()(), madness::WSTAtomicBasisFunctor::operator()(), TipMolecule::operator()(), PBF::PBF(), madness::ProjRLMFunctor::ProjRLMFunctor(), propagate(), madness::SCF::propagate(), random_gaussian(), rho_func(), SBF::SBF(), madness::SeparatedConvolution< T, NDIM >::SeparatedConvolution(), smoothed_density(), smoothed_potential(), SVPEColloidSolver::solve(), SVPEColloidSolver::solve_Laplace(), MolecularMaskBase::special_points(), madness::GaussianDomainMask::surface(), test_gaussian_num_coeffs(), test_gence2(), and volume_two_spheres().

const double madness::constants::Planck_constant = 6.62606896e-34

const double madness::constants::Planck_constant_over_2_pi = 1.054571628e-34

const double madness::constants::proton_electron_mass_ratio = 1836.15267247

const double madness::constants::proton_g_factor = 5.585694713

const double madness::constants::proton_gyromagnetic_ratio = 2.675222099e8

const double madness::constants::proton_magnetic_moment = 1.410606662e-26

const double madness::constants::proton_mass = 1.672621637e-27

const double madness::constants::Rydberg_constant = 10973731.568527

const double madness::constants::speed_of_light_in_vacuum = 299792458

const double madness::constants::Stefan_Boltzmann_constant = 5.670400e-8

const double madness::constants::unified_atomic_mass_unit = 1.660538782e-27

Variables

Variable Documentation