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qp_plugins_scemama/devel/sr_correction/alpha.irp.f

19 lines
409 B
Fortran

BEGIN_PROVIDER [ double precision, alpha_coef, (0:1) ]
implicit none
BEGIN_DOC
! SavCar-JCP-23
END_DOC
double precision :: num, den
num = 0.319820d0 + mu_erf * (1.063846d0 + mu_erf)
den = 0.487806d0 + mu_erf * (1.375439d0 + mu_erf)
alpha_coef(0) = num/den
num = 0.113074d0 + mu_erf * (0.638308d0 + mu_erf)
den = 0.122652d0 + mu_erf * (0.674813d0 + mu_erf)
alpha_coef(1) = num/den
END_PROVIDER