CONSTANTS : basic constants for precision, numbers, and std input/output physical constants from NIST written by Son, Sang-Kil in Feb. 2004 rewritten by Son, Sang-Kil in Mar. 2005 adding physical constants
| Type | Visibility | Attributes | Name | Initial | |||
|---|---|---|---|---|---|---|---|
| integer, | public, | parameter | :: | long | = | selected_real_kind(15) | |
| real(kind=long), | public, | parameter | :: | eps | = | 1.0e-15_long | |
| real(kind=long), | public, | parameter | :: | zero | = | 0.0_long | |
| real(kind=long), | public, | parameter | :: | one | = | 1.0_long | |
| real(kind=long), | public, | parameter | :: | two | = | 2.0_long | |
| real(kind=long), | public, | parameter | :: | three | = | 3.0_long | |
| real(kind=long), | public, | parameter | :: | four | = | 4.0_long | |
| real(kind=long), | public, | parameter | :: | half | = | 0.5_long | |
| real(kind=long), | public, | parameter | :: | fourth | = | 0.25_long | |
| real(kind=long), | public, | parameter | :: | threehalf | = | 1.5_long | |
| real(kind=long), | public, | parameter | :: | sqrttwo | = | sqrt(2.0_long) | |
| real(kind=long), | public, | parameter | :: | pi | = | 3.141592653589793_long | |
| complex(kind=long), | public, | parameter | :: | imag_one | = | (zero, one) | |
| integer, | public, | parameter | :: | stdin | = | 5 | |
| integer, | public, | parameter | :: | stdout | = | 6 | |
| integer, | public, | parameter | :: | stderr | = | 0 | |
| real(kind=long), | public, | parameter | :: | speed_c_si | = | 2.99792458e8_long | |
| real(kind=long), | public, | parameter | :: | charge_p_si | = | 1.602176462e-19_long | |
| real(kind=long), | public, | parameter | :: | charge_e_si | = | charge_p_si | |
| real(kind=long), | public, | parameter | :: | mass_e_si | = | 9.10938188e-31_long | |
| real(kind=long), | public, | parameter | :: | mass_p_si | = | 1.67262158e-27_long | |
| real(kind=long), | public, | parameter | :: | mass_n_si | = | 1.67492715e-27_long | |
| real(kind=long), | public, | parameter | :: | amu_si | = | 1.66053873e-27_long | |
| real(kind=long), | public, | parameter | :: | planck_h_si | = | 6.62606876e-34_long | |
| real(kind=long), | public, | parameter | :: | boltzmann_k_si | = | 1.3806503e-23_long | |
| real(kind=long), | public, | parameter | :: | avogadro_na_si | = | 6.02214199e23_long | |
| real(kind=long), | public, | parameter | :: | gravity_g_si | = | 6.673e-11_long | |
| real(kind=long), | public, | parameter | :: | au_charge | = | charge_e_si | |
| real(kind=long), | public, | parameter | :: | au_mass | = | mass_e_si | |
| real(kind=long), | public, | parameter | :: | au_action | = | planck_h_si/two/pi | |
| real(kind=long), | public, | parameter | :: | au_length | = | 0.5291772083e-10_long | |
| real(kind=long), | public, | parameter | :: | au_energy | = | 4.35974381e-18_long | |
| real(kind=long), | public, | parameter | :: | au_time | = | 2.418884326500e-17_long | |
| real(kind=long), | public, | parameter | :: | au_force | = | 8.23872181e-8_long | |
| real(kind=long), | public, | parameter | :: | au_velocity | = | 2.1876912529e6_long | |
| real(kind=long), | public, | parameter | :: | au_momentum | = | 1.99285151e24_long | |
| real(kind=long), | public, | parameter | :: | au_current | = | 6.62361753e-3_long | |
| real(kind=long), | public, | parameter | :: | au_charge_density | = | 1.081202285e12_long | |
| real(kind=long), | public, | parameter | :: | au_e_potential | = | 27.2113834_long | |
| real(kind=long), | public, | parameter | :: | au_e_field | = | 5.14220624e11_long | |
| real(kind=long), | public, | parameter | :: | au_e_field_grad | = | 9.71736153e21_long | |
| real(kind=long), | public, | parameter | :: | au_e_dipole_moment | = | 8.47835267e-30_long | |
| real(kind=long), | public, | parameter | :: | au_e_quad_moment | = | 4.48655100e-40_long | |
| real(kind=long), | public, | parameter | :: | au_e_polarizability | = | 1.648777251e-41_long | |
| real(kind=long), | public, | parameter | :: | au_magnetic_field | = | 2.35051735e5_long | |
| real(kind=long), | public, | parameter | :: | au2j | = | au_energy | |
| real(kind=long), | public, | parameter | :: | au2ev | = | au_e_potential | |
| real(kind=long), | public, | parameter | :: | au2m | = | au_length | |
| real(kind=long), | public, | parameter | :: | au2ang | = | au_length*1.0e10_long | |
| real(kind=long), | public, | parameter | :: | au2kg | = | au_mass | |
| real(kind=long), | public, | parameter | :: | au2sec | = | au_time | |
| real(kind=long), | public, | parameter | :: | au2attosec | = | au_time*1.0e18_long | |
| real(kind=long), | public, | parameter | :: | j2au | = | one/au2j | |
| real(kind=long), | public, | parameter | :: | ev2au | = | one/au2ev | |
| real(kind=long), | public, | parameter | :: | m2au | = | one/au2m | |
| real(kind=long), | public, | parameter | :: | ang2au | = | one/au2ang | |
| real(kind=long), | public, | parameter | :: | kg2au | = | one/au2kg | |
| real(kind=long), | public, | parameter | :: | sec2au | = | one/au2sec | |
| real(kind=long), | public, | parameter | :: | attosec2au | = | one/au2attosec | |
| real(kind=long), | public, | parameter | :: | amu2au | = | amu_si*kg2au | |
| real(kind=long), | public, | parameter | :: | speed_c_au | = | speed_c_si*m2au/sec2au | |
| real(kind=long), | public, | parameter | :: | cal2j | = | 4.184_long | |
| real(kind=long), | public, | parameter | :: | kcal2j | = | cal2j*1.0e3_long | |
| real(kind=long), | public, | parameter | :: | ev2j | = | charge_e_si | |
| real(kind=long), | public, | parameter | :: | ev2kcalmol | = | ev2j/kcal2j*avogadro_na_si | |
| real(kind=long), | public, | parameter | :: | hartree2j | = | au2j | |
| real(kind=long), | public, | parameter | :: | hartree2ev | = | au2ev | |
| real(kind=long), | public, | parameter | :: | hartree2kcalmol | = | hartree2ev*ev2kcalmol | |
| real(kind=long), | public, | parameter | :: | j2cal | = | one/cal2j | |
| real(kind=long), | public, | parameter | :: | j2kcal | = | one/kcal2j | |
| real(kind=long), | public, | parameter | :: | j2ev | = | one/ev2j | |
| real(kind=long), | public, | parameter | :: | j2hartree | = | one/hartree2j | |
| real(kind=long), | public, | parameter | :: | ev2hz | = | ev2j/planck_h_si | |
| real(kind=long), | public, | parameter | :: | ev2wavenumber | = | ev2hz/speed_c_si/100.0_long | |
| real(kind=long), | public, | parameter | :: | ev2kayser | = | ev2wavenumber | |
| real(kind=long), | public, | parameter | :: | ev2k | = | ev2j/boltzmann_k_si | |
| real(kind=long), | public, | parameter | :: | deb2au | = | 1e-21_long/(speed_c_au)*one/au_e_dipole_moment*au2sec/au2m | |
| real(kind=long), | public, | parameter | :: | au2deb | = | one/deb2au |