MODULE Spectro_Module USE Narran_Module USE Numeric_Kinds_Module SAVE LOGICAL nrigid CHARACTER(LEN=8) :: diatom(narran) = ['H-H ','H-H ','H-H '] ! ! Spectroscopic Constants in Atomic Units REAL(Kind=WP_Kind) wzero(narran) REAL(Kind=WP_Kind) we(narran) ! vibrational constant in atomic units REAL(Kind=WP_Kind) wexe(narran) ! anharmonicity constant in atomic units REAL(Kind=WP_Kind) weye(narran) ! REAL(Kind=WP_Kind) be(narran) ! rotational constant in atomic units REAL(Kind=WP_Kind) de(narran) ! rotational anharmonicity in atomic units REAL(Kind=WP_Kind) he(narran) REAL(Kind=WP_Kind) alfe(narran) ! vibrational-rotational coupling term. REAL(Kind=WP_Kind) bete(narran) REAL(Kind=WP_Kind) game(narran) REAL(Kind=WP_Kind) :: reau(narran) = [0.1401081d+01, 0.1401081d+01, 0.1401081d+01] ! equilibrium distance REAL(Kind=WP_Kind) :: vshift(3) = [0.0000000d+00, 0.0000000d+00, 0.0000000d+00] ! potential shift ! Spectroscopic Constants in Inverse Centemeters REAL(Kind=WP_Kind) wzerocm(narran) REAL(Kind=WP_Kind) :: wecm(narran) = [0.4401213d+04, 0.4401213d+04, 0.4401213d+04] ! vibrational constant in inverse centimeters. REAL(Kind=WP_Kind) :: wexecm(narran) = [0.1213360d+03, 0.1213360d+03, 0.1213360d+03] ! anharmonicity constant in inverse centimeters. REAL(Kind=WP_Kind) :: weyecm(narran) = [0.8129000d+00, 0.8129000d+00, 0.8129000d+00] ! REAL(Kind=WP_Kind) :: becm(narran) = [0.6085300d+02, 0.6085300d+02, 0.6085300d+02] ! rotational constant in inverse centimeters. REAL(Kind=WP_Kind) :: decm(narran) = [0.4710000d-01, 0.4710000d-01, 0.4710000d-01] ! rotational anharmonicity in inverse centimeters. REAL(Kind=WP_Kind) :: alfecm(narran) = [0.3062200d+01, 0.3062200d+01, 0.3062200d+01] ! vibrational-rotational coupling term. REAL(Kind=WP_Kind) hecm(narran) REAL(Kind=WP_Kind) betecm(narran) REAL(Kind=WP_Kind) gamecm(narran) NAMELIST/Spectro/ wecm, wexecm, weyecm, becm, decm, alfecm, reau, diatom, vshift END MODULE Spectro_Module