GBTOlib: library for evaluation of molecular integrals in mixed Gaussian / B-spline basis
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Variables | |
complex(kind=cfp), parameter | imu =(0.0_cfp, 1.0_cfp) |
real(kind=cfp), parameter | pi =3.14159265358979323846264338327950288_cfp |
real(kind=cfp), parameter | twopi =6.28318530717958647692528676655900577_cfp |
real(kind=cfp), parameter | fourpi =12.5663706143591729538505735331180115_cfp |
real(kind=cfp), parameter | inv_fourpi =1.0_cfp/fourpi |
real(kind=cfp), parameter | pi5o2 = 17.4934183276248628462628216798715538_cfp |
real(kind=cfp), parameter | pi54 = pi**1.25_cfp |
real(kind=cfp), parameter | rtpi = sqrt(pi) |
real(kind=cfp), parameter | rtpi_half = rtpi*0.5_cfp |
real(kind=ep1), parameter | qtwopi =6.28318530717958647692528676655900577_ep1 |
real(kind=cfp), parameter | roneh = 0.707106781186547524400844362104849039_cfp |
real(kind=cfp), parameter | rtwo = 1.41421356237309504880168872420969808_cfp |
real(kind=cfp), parameter | to_au =1.88972599_cfp |
real(kind=cfp), parameter | to_ev =27.21138469_cfp |
real(kind=cfp), parameter phys_const_gbl::fourpi =12.5663706143591729538505735331180115_cfp |
complex(kind=cfp), parameter phys_const_gbl::imu =(0.0_cfp, 1.0_cfp) |
real(kind=cfp), parameter phys_const_gbl::inv_fourpi =1.0_cfp/fourpi |
real(kind=cfp), parameter phys_const_gbl::pi =3.14159265358979323846264338327950288_cfp |
real(kind=cfp), parameter phys_const_gbl::pi54 = pi**1.25_cfp |
real(kind=cfp), parameter phys_const_gbl::pi5o2 = 17.4934183276248628462628216798715538_cfp |
real(kind=ep1), parameter phys_const_gbl::qtwopi =6.28318530717958647692528676655900577_ep1 |
real(kind=cfp), parameter phys_const_gbl::roneh = 0.707106781186547524400844362104849039_cfp |
real(kind=cfp), parameter phys_const_gbl::rtpi = sqrt(pi) |
real(kind=cfp), parameter phys_const_gbl::rtpi_half = rtpi*0.5_cfp |
real(kind=cfp), parameter phys_const_gbl::rtwo = 1.41421356237309504880168872420969808_cfp |
real(kind=cfp), parameter phys_const_gbl::to_au =1.88972599_cfp |
real(kind=cfp), parameter phys_const_gbl::to_ev =27.21138469_cfp |
real(kind=cfp), parameter phys_const_gbl::twopi =6.28318530717958647692528676655900577_cfp |