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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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30,946 changes: 14,651 additions & 16,295 deletions Support/Mechanism/Models/Aromatic_KrNara/mechanism.H
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9 changes: 4 additions & 5 deletions Support/Mechanism/Models/Aromatic_KrNara/mechanism.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -912,15 +912,14 @@ 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[158];
gibbs(g_RT, tc);
gibbs(g_RT, T);

amrex::Real sc_qss[1];
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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2,333 changes: 1,087 additions & 1,246 deletions Support/Mechanism/Models/BurkeDryer/mechanism.H
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9 changes: 4 additions & 5 deletions Support/Mechanism/Models/BurkeDryer/mechanism.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -82,15 +82,14 @@ 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 sc_qss[1];
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
8,562 changes: 4,040 additions & 4,522 deletions Support/Mechanism/Models/C1-C2-NO/mechanism.H
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9 changes: 4 additions & 5 deletions Support/Mechanism/Models/C1-C2-NO/mechanism.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -234,15 +234,14 @@ 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[44];
gibbs(g_RT, tc);
gibbs(g_RT, T);

amrex::Real sc_qss[1];
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
38,249 changes: 18,828 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, logT, 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
3,392 changes: 1,592 additions & 1,800 deletions Support/Mechanism/Models/CH4_lean/mechanism.H
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9 changes: 4 additions & 5 deletions Support/Mechanism/Models/CH4_lean/mechanism.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -114,15 +114,14 @@ 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[17];
gibbs(g_RT, tc);
gibbs(g_RT, T);

amrex::Real sc_qss[1];
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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