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Remove tc thread private array #435

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merged 9 commits into from
Oct 30, 2023
Merged

Remove tc thread private array #435

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5e261ae
Remove tc thread private array
marchdf Oct 26, 2023
6b104ba
Update mechs
marchdf Oct 26, 2023
b684ecf
Const some things
marchdf Oct 26, 2023
69bcaf3
update mechs
marchdf Oct 26, 2023
d782775
python updates for qss
marchdf Oct 26, 2023
321835d
update qss mechs
marchdf Oct 26, 2023
28190aa
fixes for qss mechs in python
marchdf Oct 26, 2023
18b1d9e
another python fix
marchdf Oct 26, 2023
7f8962e
update mechs
marchdf Oct 26, 2023
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update qss mechs
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@marchdf
marchdf committed Oct 27, 2023
commit 321835dfeb9a09be2d44c2fd62c25c5472a3b286
38,242 changes: 18,821 additions & 19,421 deletions Support/Mechanism/Models/C1-C2-NO_qss/mechanism.H
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15 changes: 7 additions & 8 deletions Support/Mechanism/Models/C1-C2-NO_qss/mechanism.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -234,22 +234,21 @@ void
progressRateFR(
amrex::Real* q_f, amrex::Real* q_r, amrex::Real* sc, amrex::Real T)
{
const amrex::Real tc[5] = {
log(T), T, T * T, T * T * T, T * T * T * T}; // temperature cache
amrex::Real invT = 1.0 / tc[1];
const amrex::Real invT = 1.0 / T;
const amrex::Real logT = log(T);
// compute the Gibbs free energy
amrex::Real g_RT[39];
gibbs(g_RT, tc);
gibbs(g_RT, T);
amrex::Real g_RT_qss[5];
gibbs_qss(g_RT_qss, tc);
gibbs_qss(g_RT_qss, T);

amrex::Real sc_qss[5];
// Fill sc_qss here
amrex::Real kf_qss[70], qf_qss[70], qr_qss[70];
comp_k_f_qss(tc, invT, kf_qss);
comp_qss_coeff(kf_qss, qf_qss, qr_qss, sc, tc, g_RT, g_RT_qss);
comp_k_f_qss(T, invT, kf_qss);
comp_qss_coeff(kf_qss, qf_qss, qr_qss, sc, T, g_RT, g_RT_qss);
comp_sc_qss(sc_qss, qf_qss, qr_qss);
comp_qfqr(q_f, q_r, sc, sc_qss, tc, invT);
comp_qfqr(q_f, q_r, sc, sc_qss, T, invT, logT);
}

// save atomic weights into array
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7,984 changes: 3,892 additions & 4,092 deletions Support/Mechanism/Models/CH4_lean_qss/mechanism.H
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15 changes: 7 additions & 8 deletions Support/Mechanism/Models/CH4_lean_qss/mechanism.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -114,22 +114,21 @@ void
progressRateFR(
amrex::Real* q_f, amrex::Real* q_r, amrex::Real* sc, amrex::Real T)
{
const amrex::Real tc[5] = {
log(T), T, T * T, T * T * T, T * T * T * T}; // temperature cache
amrex::Real invT = 1.0 / tc[1];
const amrex::Real invT = 1.0 / T;
const amrex::Real logT = log(T);
// compute the Gibbs free energy
amrex::Real g_RT[13];
gibbs(g_RT, tc);
gibbs(g_RT, T);
amrex::Real g_RT_qss[4];
gibbs_qss(g_RT_qss, tc);
gibbs_qss(g_RT_qss, T);

amrex::Real sc_qss[4];
// Fill sc_qss here
amrex::Real kf_qss[41], qf_qss[41], qr_qss[41];
comp_k_f_qss(tc, invT, kf_qss);
comp_qss_coeff(kf_qss, qf_qss, qr_qss, sc, tc, g_RT, g_RT_qss);
comp_k_f_qss(T, invT, kf_qss);
comp_qss_coeff(kf_qss, qf_qss, qr_qss, sc, T, g_RT, g_RT_qss);
comp_sc_qss(sc_qss, qf_qss, qr_qss);
comp_qfqr(q_f, q_r, sc, sc_qss, tc, invT);
comp_qfqr(q_f, q_r, sc, sc_qss, T, invT, logT);
}

// save atomic weights into array
Expand Down
51,669 changes: 25,777 additions & 25,892 deletions Support/Mechanism/Models/LuEthylene_qss/mechanism.H
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15 changes: 7 additions & 8 deletions Support/Mechanism/Models/LuEthylene_qss/mechanism.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -196,22 +196,21 @@ void
progressRateFR(
amrex::Real* q_f, amrex::Real* q_r, amrex::Real* sc, amrex::Real T)
{
const amrex::Real tc[5] = {
log(T), T, T * T, T * T * T, T * T * T * T}; // temperature cache
amrex::Real invT = 1.0 / tc[1];
const amrex::Real invT = 1.0 / T;
const amrex::Real logT = log(T);
// compute the Gibbs free energy
amrex::Real g_RT[22];
gibbs(g_RT, tc);
gibbs(g_RT, T);
amrex::Real g_RT_qss[10];
gibbs_qss(g_RT_qss, tc);
gibbs_qss(g_RT_qss, T);

amrex::Real sc_qss[10];
// Fill sc_qss here
amrex::Real kf_qss[142], qf_qss[142], qr_qss[142];
comp_k_f_qss(tc, invT, kf_qss);
comp_qss_coeff(kf_qss, qf_qss, qr_qss, sc, tc, g_RT, g_RT_qss);
comp_k_f_qss(T, invT, kf_qss);
comp_qss_coeff(kf_qss, qf_qss, qr_qss, sc, T, g_RT, g_RT_qss);
comp_sc_qss(sc_qss, qf_qss, qr_qss);
comp_qfqr(q_f, q_r, sc, sc_qss, tc, invT);
comp_qfqr(q_f, q_r, sc, sc_qss, T, invT, logT);
}

// save atomic weights into array
Expand Down
244,715 changes: 122,006 additions & 122,709 deletions Support/Mechanism/Models/dodecane_lu_qss/mechanism.H
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15 changes: 7 additions & 8 deletions Support/Mechanism/Models/dodecane_lu_qss/mechanism.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -236,22 +236,21 @@ void
progressRateFR(
amrex::Real* q_f, amrex::Real* q_r, amrex::Real* sc, amrex::Real T)
{
const amrex::Real tc[5] = {
log(T), T, T * T, T * T * T, T * T * T * T}; // temperature cache
amrex::Real invT = 1.0 / tc[1];
const amrex::Real invT = 1.0 / T;
const amrex::Real logT = log(T);
// compute the Gibbs free energy
amrex::Real g_RT[35];
gibbs(g_RT, tc);
gibbs(g_RT, T);
amrex::Real g_RT_qss[18];
gibbs_qss(g_RT_qss, tc);
gibbs_qss(g_RT_qss, T);

amrex::Real sc_qss[18];
// Fill sc_qss here
amrex::Real kf_qss[198], qf_qss[198], qr_qss[198];
comp_k_f_qss(tc, invT, kf_qss);
comp_qss_coeff(kf_qss, qf_qss, qr_qss, sc, tc, g_RT, g_RT_qss);
comp_k_f_qss(T, invT, kf_qss);
comp_qss_coeff(kf_qss, qf_qss, qr_qss, sc, T, g_RT, g_RT_qss);
comp_sc_qss(sc_qss, qf_qss, qr_qss);
comp_qfqr(q_f, q_r, sc, sc_qss, tc, invT);
comp_qfqr(q_f, q_r, sc, sc_qss, T, invT, logT);
}

// save atomic weights into array
Expand Down
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