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consistency PSRK with Aij Bij Cij used
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SalvadorBrandolin committed Oct 22, 2024
1 parent ab7440c commit a15b859
Showing 1 changed file with 6 additions and 6 deletions.
12 changes: 6 additions & 6 deletions test/test_implementations/ge_models/test_psrk.f90
Original file line number Diff line number Diff line change
Expand Up @@ -62,9 +62,9 @@ subroutine test_psrk_cons_mix(error)
molecules(3)%groups_ids = [9, 11]
molecules(3)%number_of_groups = [5, 1]

! ! Cyclohexane [CH2]
molecules(4)%groups_ids = [2]
molecules(4)%number_of_groups = [6]
! ! Carbon dioxide [CO2]
molecules(4)%groups_ids = [117]
molecules(4)%number_of_groups = [1]

parameters = PSRKParameters()

Expand Down Expand Up @@ -227,15 +227,15 @@ subroutine test_against_caleb_thermo(error)
! ------------------------------------------------------------------------
! Ge

print *, Ge/n_t
!print *, Ge/n_t
call check(error, abs(Ge / n_t - (-3.223992676822129_pr)) <= 1e-5)

! Gen
print *, Gen
!print *, Gen
call check(error, allclose(Gen, [10.53032277_pr, -2.37758326_pr, -36.65748951_pr], 1e-5_pr))

! ln_gammas
print *, Gen/R/T, ln_gammas
!print *, Gen/R/T, ln_gammas
call check(error, allclose(Gen / R / T, [0.84433781_pr, -0.19063836_pr, -2.93925506_pr], 1e-5_pr))
call check(error, allclose(ln_gammas, [0.84433781_pr, -0.19063836_pr, -2.93925506_pr], 1e-5_pr))

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