xref: /honee/qfunctions/stg_shur14.h (revision 84b557ac940557fa3d4fece3311510aed39a37d2)
1dc936754SJeremy L Thompson // Copyright (c) 2017-2024, Lawrence Livermore National Security, LLC and other CEED contributors.
2493642f1SJames Wright // All Rights Reserved. See the top-level LICENSE and NOTICE files for details.
3493642f1SJames Wright //
4493642f1SJames Wright // SPDX-License-Identifier: BSD-2-Clause
5493642f1SJames Wright //
6493642f1SJames Wright // This file is part of CEED:  http://github.com/ceed
7493642f1SJames Wright 
8493642f1SJames Wright /// @file
9493642f1SJames Wright /// Implementation of the Synthetic Turbulence Generation (STG) algorithm
10493642f1SJames Wright /// presented in Shur et al. 2014
11493642f1SJames Wright //
1204e40bb6SJeremy L Thompson /// SetupSTG_Rand reads in the input files and fills in STGShur14Context.
1304e40bb6SJeremy L Thompson /// Then STGShur14_CalcQF is run over quadrature points.
1404e40bb6SJeremy L Thompson /// Before the program exits, TearDownSTG is run to free the memory of the allocated arrays.
15493642f1SJames Wright #include <ceed.h>
16d0cce58aSJeremy L Thompson #include <math.h>
17493642f1SJames Wright #include <stdlib.h>
182b916ea7SJeremy L Thompson 
193d65b166SJames Wright #include "newtonian_state.h"
201a74fa30SJames Wright #include "setupgeo_helpers.h"
21493642f1SJames Wright #include "stg_shur14_type.h"
22704b8bbeSJames Wright #include "utils.h"
23493642f1SJames Wright 
24493642f1SJames Wright #define STG_NMODES_MAX 1024
25493642f1SJames Wright 
26493642f1SJames Wright /*
27493642f1SJames Wright  * @brief Interpolate quantities from input profile to given location
28493642f1SJames Wright  *
29c77f3192SJames Wright  * Assumed that prof_wd[i+1] > prof_wd[i] and prof_wd[0] = 0
30c77f3192SJames Wright  * If wall_dist > prof_wd[-1], then the interpolation takes the values at prof_wd[-1]
31493642f1SJames Wright  *
32c77f3192SJames Wright  * @param[in]  wall_dist Distance to the nearest wall
33c77f3192SJames Wright  * @param[out] ubar      Mean velocity at wall_dist
34c77f3192SJames Wright  * @param[out] cij       Cholesky decomposition at wall_dist
35c77f3192SJames Wright  * @param[out] eps       Turbulent dissipation at wall_dist
36c77f3192SJames Wright  * @param[out] lt        Turbulent length scale at wall_dist
37493642f1SJames Wright  * @param[in]  stg_ctx   STGShur14Context for the problem
38493642f1SJames Wright  */
392b916ea7SJeremy L Thompson CEED_QFUNCTION_HELPER void InterpolateProfile(const CeedScalar wall_dist, CeedScalar ubar[3], CeedScalar cij[6], CeedScalar *eps, CeedScalar *lt,
4042454adaSJames Wright                                               const StgShur14Context stg_ctx) {
41493642f1SJames Wright   const CeedInt     nprofs    = stg_ctx->nprofs;
42c77f3192SJames Wright   const CeedScalar *prof_wd   = &stg_ctx->data[stg_ctx->offsets.wall_dist];
43493642f1SJames Wright   const CeedScalar *prof_eps  = &stg_ctx->data[stg_ctx->offsets.eps];
44493642f1SJames Wright   const CeedScalar *prof_lt   = &stg_ctx->data[stg_ctx->offsets.lt];
45493642f1SJames Wright   const CeedScalar *prof_ubar = &stg_ctx->data[stg_ctx->offsets.ubar];
46493642f1SJames Wright   const CeedScalar *prof_cij  = &stg_ctx->data[stg_ctx->offsets.cij];
47493642f1SJames Wright   CeedInt           idx       = -1;
48493642f1SJames Wright 
49493642f1SJames Wright   for (CeedInt i = 0; i < nprofs; i++) {
50c77f3192SJames Wright     if (wall_dist < prof_wd[i]) {
51493642f1SJames Wright       idx = i;
52493642f1SJames Wright       break;
53493642f1SJames Wright     }
54493642f1SJames Wright   }
55493642f1SJames Wright 
56c77f3192SJames Wright   if (idx > 0) {  // y within the bounds of prof_wd
57c77f3192SJames Wright     CeedScalar coeff = (wall_dist - prof_wd[idx - 1]) / (prof_wd[idx] - prof_wd[idx - 1]);
58c77f3192SJames Wright 
59493642f1SJames Wright     ubar[0] = prof_ubar[0 * nprofs + idx - 1] + coeff * (prof_ubar[0 * nprofs + idx] - prof_ubar[0 * nprofs + idx - 1]);
60493642f1SJames Wright     ubar[1] = prof_ubar[1 * nprofs + idx - 1] + coeff * (prof_ubar[1 * nprofs + idx] - prof_ubar[1 * nprofs + idx - 1]);
61493642f1SJames Wright     ubar[2] = prof_ubar[2 * nprofs + idx - 1] + coeff * (prof_ubar[2 * nprofs + idx] - prof_ubar[2 * nprofs + idx - 1]);
62493642f1SJames Wright     cij[0]  = prof_cij[0 * nprofs + idx - 1] + coeff * (prof_cij[0 * nprofs + idx] - prof_cij[0 * nprofs + idx - 1]);
63493642f1SJames Wright     cij[1]  = prof_cij[1 * nprofs + idx - 1] + coeff * (prof_cij[1 * nprofs + idx] - prof_cij[1 * nprofs + idx - 1]);
64493642f1SJames Wright     cij[2]  = prof_cij[2 * nprofs + idx - 1] + coeff * (prof_cij[2 * nprofs + idx] - prof_cij[2 * nprofs + idx - 1]);
65493642f1SJames Wright     cij[3]  = prof_cij[3 * nprofs + idx - 1] + coeff * (prof_cij[3 * nprofs + idx] - prof_cij[3 * nprofs + idx - 1]);
66493642f1SJames Wright     cij[4]  = prof_cij[4 * nprofs + idx - 1] + coeff * (prof_cij[4 * nprofs + idx] - prof_cij[4 * nprofs + idx - 1]);
67493642f1SJames Wright     cij[5]  = prof_cij[5 * nprofs + idx - 1] + coeff * (prof_cij[5 * nprofs + idx] - prof_cij[5 * nprofs + idx - 1]);
68493642f1SJames Wright     *eps    = prof_eps[idx - 1] + coeff * (prof_eps[idx] - prof_eps[idx - 1]);
69493642f1SJames Wright     *lt     = prof_lt[idx - 1] + coeff * (prof_lt[idx] - prof_lt[idx - 1]);
70c77f3192SJames Wright   } else {  // y outside bounds of prof_wd
71493642f1SJames Wright     ubar[0] = prof_ubar[1 * nprofs - 1];
72493642f1SJames Wright     ubar[1] = prof_ubar[2 * nprofs - 1];
73493642f1SJames Wright     ubar[2] = prof_ubar[3 * nprofs - 1];
74493642f1SJames Wright     cij[0]  = prof_cij[1 * nprofs - 1];
75493642f1SJames Wright     cij[1]  = prof_cij[2 * nprofs - 1];
76493642f1SJames Wright     cij[2]  = prof_cij[3 * nprofs - 1];
77493642f1SJames Wright     cij[3]  = prof_cij[4 * nprofs - 1];
78493642f1SJames Wright     cij[4]  = prof_cij[5 * nprofs - 1];
79493642f1SJames Wright     cij[5]  = prof_cij[6 * nprofs - 1];
80493642f1SJames Wright     *eps    = prof_eps[nprofs - 1];
81493642f1SJames Wright     *lt     = prof_lt[nprofs - 1];
82493642f1SJames Wright   }
83493642f1SJames Wright }
84493642f1SJames Wright 
85493642f1SJames Wright /*
8671cd6200SJames Wright  * @brief Calculate spectrum coefficient, qn
8771cd6200SJames Wright  *
8871cd6200SJames Wright  * Calculates q_n at a given distance to the wall
8971cd6200SJames Wright  *
9071cd6200SJames Wright  * @param[in]  kappa     nth wavenumber
9171cd6200SJames Wright  * @param[in]  dkappa    Difference between wavenumbers
9271cd6200SJames Wright  * @param[in]  keta      Dissipation wavenumber
9371cd6200SJames Wright  * @param[in]  kcut      Mesh-induced cutoff wavenumber
9471cd6200SJames Wright  * @param[in]  ke        Energy-containing wavenumber
959ef62cddSJames Wright  * @param[in]  Ektot_inv Inverse of total turbulent kinetic energy of spectrum
9671cd6200SJames Wright  * @returns    qn        Spectrum coefficient
9771cd6200SJames Wright  */
982b916ea7SJeremy L Thompson CEED_QFUNCTION_HELPER CeedScalar Calc_qn(const CeedScalar kappa, const CeedScalar dkappa, const CeedScalar keta, const CeedScalar kcut,
9970b0cb14SJames Wright                                          const CeedScalar ke, const CeedScalar Ektot_inv) {
1002b916ea7SJeremy L Thompson   const CeedScalar feta_x_fcut = exp(-Square(12 * kappa / keta) - Cube(4 * Max(kappa - 0.9 * kcut, 0) / kcut));
1012b916ea7SJeremy L Thompson   return pow(kappa / ke, 4.) * pow(1 + 2.4 * Square(kappa / ke), -17. / 6) * feta_x_fcut * dkappa * Ektot_inv;
10271cd6200SJames Wright }
10371cd6200SJames Wright 
10471cd6200SJames Wright // Calculate hmax, ke, keta, and kcut
105*84b557acSJames Wright CEED_QFUNCTION_HELPER void SpectrumConstants(const CeedScalar wall_dist, const CeedScalar eps, const CeedScalar lt, const CeedScalar hNodSep[3],
1062b916ea7SJeremy L Thompson                                              const CeedScalar nu, CeedScalar *hmax, CeedScalar *ke, CeedScalar *keta, CeedScalar *kcut) {
107*84b557acSJames Wright   *hmax = Max(Max(hNodSep[0], hNodSep[1]), hNodSep[2]);
108c77f3192SJames Wright   *ke   = wall_dist == 0 ? 1e16 : 2 * M_PI / Min(2 * wall_dist, 3 * lt);
10971cd6200SJames Wright   *keta = 2 * M_PI * pow(Cube(nu) / eps, -0.25);
110*84b557acSJames Wright   *kcut = M_PI / Min(Max(Max(hNodSep[1], hNodSep[2]), 0.3 * (*hmax)) + 0.1 * wall_dist, *hmax);
11171cd6200SJames Wright }
11271cd6200SJames Wright 
11371cd6200SJames Wright /*
114493642f1SJames Wright  * @brief Calculate spectrum coefficients for STG
115493642f1SJames Wright  *
116493642f1SJames Wright  * Calculates q_n at a given distance to the wall
117493642f1SJames Wright  *
118c77f3192SJames Wright  * @param[in]  wall_dist  Distance to the nearest wall
119c77f3192SJames Wright  * @param[in]  eps        Turbulent dissipation w/rt wall_dist
120c77f3192SJames Wright  * @param[in]  lt         Turbulent length scale w/rt wall_dist
121*84b557acSJames Wright  * @param[in]  h_node_sep Element lengths in coordinate directions
122493642f1SJames Wright  * @param[in]  nu         Dynamic Viscosity;
123493642f1SJames Wright  * @param[in]  stg_ctx    STGShur14Context for the problem
124493642f1SJames Wright  * @param[out] qn         Spectrum coefficients, [nmodes]
125493642f1SJames Wright  */
126*84b557acSJames Wright CEED_QFUNCTION_HELPER void CalcSpectrum(const CeedScalar wall_dist, const CeedScalar eps, const CeedScalar lt, const CeedScalar h_node_sep[3],
12742454adaSJames Wright                                         const CeedScalar nu, CeedScalar qn[], const StgShur14Context stg_ctx) {
128493642f1SJames Wright   const CeedInt     nmodes = stg_ctx->nmodes;
129493642f1SJames Wright   const CeedScalar *kappa  = &stg_ctx->data[stg_ctx->offsets.kappa];
13071cd6200SJames Wright   CeedScalar        hmax, ke, keta, kcut, Ektot = 0.0;
1312b916ea7SJeremy L Thompson 
132*84b557acSJames Wright   SpectrumConstants(wall_dist, eps, lt, h_node_sep, nu, &hmax, &ke, &keta, &kcut);
133493642f1SJames Wright 
134493642f1SJames Wright   for (CeedInt n = 0; n < nmodes; n++) {
13571cd6200SJames Wright     const CeedScalar dkappa = n == 0 ? kappa[0] : kappa[n] - kappa[n - 1];
13671cd6200SJames Wright     qn[n]                   = Calc_qn(kappa[n], dkappa, keta, kcut, ke, 1.0);
137493642f1SJames Wright     Ektot += qn[n];
138493642f1SJames Wright   }
139493642f1SJames Wright 
1400a8dc919SJames Wright   if (Ektot == 0) return;
141493642f1SJames Wright   for (CeedInt n = 0; n < nmodes; n++) qn[n] /= Ektot;
142493642f1SJames Wright }
143493642f1SJames Wright 
144493642f1SJames Wright /******************************************************
145493642f1SJames Wright  * @brief Calculate u(x,t) for STG inflow condition
146493642f1SJames Wright  *
147493642f1SJames Wright  * @param[in]  X       Location to evaluate u(X,t)
148493642f1SJames Wright  * @param[in]  t       Time to evaluate u(X,t)
149493642f1SJames Wright  * @param[in]  ubar    Mean velocity at X
150493642f1SJames Wright  * @param[in]  cij     Cholesky decomposition at X
151493642f1SJames Wright  * @param[in]  qn      Wavemode amplitudes at X, [nmodes]
152493642f1SJames Wright  * @param[out] u       Velocity at X and t
153493642f1SJames Wright  * @param[in]  stg_ctx STGShur14Context for the problem
154493642f1SJames Wright  */
15542454adaSJames Wright CEED_QFUNCTION_HELPER void StgShur14Calc(const CeedScalar X[3], const CeedScalar t, const CeedScalar ubar[3], const CeedScalar cij[6],
15642454adaSJames Wright                                          const CeedScalar qn[], CeedScalar u[3], const StgShur14Context stg_ctx) {
157493642f1SJames Wright   const CeedInt     nmodes = stg_ctx->nmodes;
158493642f1SJames Wright   const CeedScalar *kappa  = &stg_ctx->data[stg_ctx->offsets.kappa];
159493642f1SJames Wright   const CeedScalar *phi    = &stg_ctx->data[stg_ctx->offsets.phi];
160493642f1SJames Wright   const CeedScalar *sigma  = &stg_ctx->data[stg_ctx->offsets.sigma];
161493642f1SJames Wright   const CeedScalar *d      = &stg_ctx->data[stg_ctx->offsets.d];
162493642f1SJames Wright   CeedScalar        xdotd, vp[3] = {0.};
163493642f1SJames Wright   CeedScalar        xhat[] = {0., X[1], X[2]};
164493642f1SJames Wright 
1652b916ea7SJeremy L Thompson   CeedPragmaSIMD for (CeedInt n = 0; n < nmodes; n++) {
166493642f1SJames Wright     xhat[0] = (X[0] - stg_ctx->u0 * t) * Max(2 * kappa[0] / kappa[n], 0.1);
167493642f1SJames Wright     xdotd   = 0.;
168493642f1SJames Wright     for (CeedInt i = 0; i < 3; i++) xdotd += d[i * nmodes + n] * xhat[i];
169493642f1SJames Wright     const CeedScalar cos_kxdp = cos(kappa[n] * xdotd + phi[n]);
1700a8dc919SJames Wright     vp[0] += sqrt(qn[n]) * sigma[0 * nmodes + n] * cos_kxdp;
1710a8dc919SJames Wright     vp[1] += sqrt(qn[n]) * sigma[1 * nmodes + n] * cos_kxdp;
1720a8dc919SJames Wright     vp[2] += sqrt(qn[n]) * sigma[2 * nmodes + n] * cos_kxdp;
173493642f1SJames Wright   }
1740a8dc919SJames Wright   for (CeedInt i = 0; i < 3; i++) vp[i] *= 2 * sqrt(1.5);
175493642f1SJames Wright 
176493642f1SJames Wright   u[0] = ubar[0] + cij[0] * vp[0];
177493642f1SJames Wright   u[1] = ubar[1] + cij[3] * vp[0] + cij[1] * vp[1];
178493642f1SJames Wright   u[2] = ubar[2] + cij[4] * vp[0] + cij[5] * vp[1] + cij[2] * vp[2];
179493642f1SJames Wright }
180493642f1SJames Wright 
1818eea80fcSJames Wright /******************************************************
1828eea80fcSJames Wright  * @brief Calculate u(x,t) for STG inflow condition
1838eea80fcSJames Wright  *
1848eea80fcSJames Wright  * @param[in]  X          Location to evaluate u(X,t)
1858eea80fcSJames Wright  * @param[in]  t          Time to evaluate u(X,t)
1868eea80fcSJames Wright  * @param[in]  ubar       Mean velocity at X
1878eea80fcSJames Wright  * @param[in]  cij        Cholesky decomposition at X
188c77f3192SJames Wright  * @param[in]  Ektot      Total spectrum energy at this location
189*84b557acSJames Wright  * @param[in]  h_node_sep Element size in 3 directions
190c77f3192SJames Wright  * @param[in]  wall_dist  Distance to closest wall
191c77f3192SJames Wright  * @param[in]  eps        Turbulent dissipation
192c77f3192SJames Wright  * @param[in]  lt         Turbulent length scale
1938eea80fcSJames Wright  * @param[out] u          Velocity at X and t
1948eea80fcSJames Wright  * @param[in]  stg_ctx    STGShur14Context for the problem
1958eea80fcSJames Wright  */
19642454adaSJames Wright CEED_QFUNCTION_HELPER void StgShur14Calc_PrecompEktot(const CeedScalar X[3], const CeedScalar t, const CeedScalar ubar[3], const CeedScalar cij[6],
197*84b557acSJames Wright                                                       const CeedScalar Ektot, const CeedScalar h_node_sep[3], const CeedScalar wall_dist,
198*84b557acSJames Wright                                                       const CeedScalar eps, const CeedScalar lt, const CeedScalar nu, CeedScalar u[3],
199*84b557acSJames Wright                                                       const StgShur14Context stg_ctx) {
2008eea80fcSJames Wright   const CeedInt     nmodes = stg_ctx->nmodes;
2018eea80fcSJames Wright   const CeedScalar *kappa  = &stg_ctx->data[stg_ctx->offsets.kappa];
2028eea80fcSJames Wright   const CeedScalar *phi    = &stg_ctx->data[stg_ctx->offsets.phi];
2038eea80fcSJames Wright   const CeedScalar *sigma  = &stg_ctx->data[stg_ctx->offsets.sigma];
2048eea80fcSJames Wright   const CeedScalar *d      = &stg_ctx->data[stg_ctx->offsets.d];
2058eea80fcSJames Wright   CeedScalar        hmax, ke, keta, kcut;
206*84b557acSJames Wright   SpectrumConstants(wall_dist, eps, lt, h_node_sep, nu, &hmax, &ke, &keta, &kcut);
2078eea80fcSJames Wright   CeedScalar xdotd, vp[3] = {0.};
2088eea80fcSJames Wright   CeedScalar xhat[] = {0., X[1], X[2]};
2098eea80fcSJames Wright 
2102b916ea7SJeremy L Thompson   CeedPragmaSIMD for (CeedInt n = 0; n < nmodes; n++) {
2118eea80fcSJames Wright     xhat[0] = (X[0] - stg_ctx->u0 * t) * Max(2 * kappa[0] / kappa[n], 0.1);
2128eea80fcSJames Wright     xdotd   = 0.;
2138eea80fcSJames Wright     for (CeedInt i = 0; i < 3; i++) xdotd += d[i * nmodes + n] * xhat[i];
2148eea80fcSJames Wright     const CeedScalar cos_kxdp = cos(kappa[n] * xdotd + phi[n]);
2158eea80fcSJames Wright     const CeedScalar dkappa   = n == 0 ? kappa[0] : kappa[n] - kappa[n - 1];
2168eea80fcSJames Wright     const CeedScalar qn       = Calc_qn(kappa[n], dkappa, keta, kcut, ke, Ektot);
2178eea80fcSJames Wright     vp[0] += sqrt(qn) * sigma[0 * nmodes + n] * cos_kxdp;
2188eea80fcSJames Wright     vp[1] += sqrt(qn) * sigma[1 * nmodes + n] * cos_kxdp;
2198eea80fcSJames Wright     vp[2] += sqrt(qn) * sigma[2 * nmodes + n] * cos_kxdp;
2208eea80fcSJames Wright   }
2218eea80fcSJames Wright   for (CeedInt i = 0; i < 3; i++) vp[i] *= 2 * sqrt(1.5);
2228eea80fcSJames Wright 
2238eea80fcSJames Wright   u[0] = ubar[0] + cij[0] * vp[0];
2248eea80fcSJames Wright   u[1] = ubar[1] + cij[3] * vp[0] + cij[1] * vp[1];
2258eea80fcSJames Wright   u[2] = ubar[2] + cij[4] * vp[0] + cij[5] * vp[1] + cij[2] * vp[2];
2268eea80fcSJames Wright }
2278eea80fcSJames Wright 
22870b0cb14SJames Wright // Create preprocessed input for the stg calculation
22970b0cb14SJames Wright //
23070b0cb14SJames Wright // stg_data[0] = 1 / Ektot (inverse of total spectrum energy)
23142454adaSJames Wright CEED_QFUNCTION(StgShur14Preprocess)(void *ctx, CeedInt Q, const CeedScalar *const *in, CeedScalar *const *out) {
2326f188493SJames Wright   const CeedScalar(*dXdx_q)[3][CEED_Q_VLA] = (const CeedScalar(*)[3][CEED_Q_VLA])in[0];
2333d65b166SJames Wright   const CeedScalar(*x)[CEED_Q_VLA]         = (const CeedScalar(*)[CEED_Q_VLA])in[1];
2348eea80fcSJames Wright 
2358eea80fcSJames Wright   CeedScalar(*stg_data) = (CeedScalar(*))out[0];
2368eea80fcSJames Wright 
2378eea80fcSJames Wright   CeedScalar             ubar[3], cij[6], eps, lt;
23842454adaSJames Wright   const StgShur14Context stg_ctx = (StgShur14Context)ctx;
2398eea80fcSJames Wright   const CeedScalar       dx      = stg_ctx->dx;
2408eea80fcSJames Wright   const CeedScalar       mu      = stg_ctx->newtonian_ctx.mu;
2418eea80fcSJames Wright   const CeedScalar       theta0  = stg_ctx->theta0;
2428eea80fcSJames Wright   const CeedScalar       P0      = stg_ctx->P0;
2433d65b166SJames Wright   const CeedScalar       Rd      = GasConstant(&stg_ctx->newtonian_ctx);
2448eea80fcSJames Wright   const CeedScalar       rho     = P0 / (Rd * theta0);
2458eea80fcSJames Wright   const CeedScalar       nu      = mu / rho;
2468eea80fcSJames Wright 
2478eea80fcSJames Wright   const CeedInt     nmodes = stg_ctx->nmodes;
2488eea80fcSJames Wright   const CeedScalar *kappa  = &stg_ctx->data[stg_ctx->offsets.kappa];
2499eeef72bSJames Wright   CeedScalar        hmax, ke, keta, kcut;
2508eea80fcSJames Wright 
2512b916ea7SJeremy L Thompson   CeedPragmaSIMD for (CeedInt i = 0; i < Q; i++) {
252c77f3192SJames Wright     const CeedScalar wall_dist  = x[1][i];
2538eea80fcSJames Wright     const CeedScalar dXdx[2][3] = {
2546f188493SJames Wright         {dXdx_q[0][0][i], dXdx_q[0][1][i], dXdx_q[0][2][i]},
2556f188493SJames Wright         {dXdx_q[1][0][i], dXdx_q[1][1][i], dXdx_q[1][2][i]},
2568eea80fcSJames Wright     };
2578eea80fcSJames Wright 
258*84b557acSJames Wright     CeedScalar h_node_sep[3];
259*84b557acSJames Wright     h_node_sep[0] = dx;
260*84b557acSJames Wright     for (CeedInt j = 1; j < 3; j++) h_node_sep[j] = 2 / sqrt(dXdx[0][j] * dXdx[0][j] + dXdx[1][j] * dXdx[1][j]);
261*84b557acSJames Wright     ScaleN(h_node_sep, stg_ctx->h_scale_factor, 3);
2628eea80fcSJames Wright 
263c77f3192SJames Wright     InterpolateProfile(wall_dist, ubar, cij, &eps, &lt, stg_ctx);
264*84b557acSJames Wright     SpectrumConstants(wall_dist, eps, lt, h_node_sep, nu, &hmax, &ke, &keta, &kcut);
2658eea80fcSJames Wright 
2668eea80fcSJames Wright     // Calculate total TKE per spectrum
2672f638ed2SJames Wright     CeedScalar Ek_tot = 0;
2682b916ea7SJeremy L Thompson     CeedPragmaSIMD for (CeedInt n = 0; n < nmodes; n++) {
2698eea80fcSJames Wright       const CeedScalar dkappa = n == 0 ? kappa[0] : kappa[n] - kappa[n - 1];
2702f638ed2SJames Wright       Ek_tot += Calc_qn(kappa[n], dkappa, keta, kcut, ke, 1.0);
2718eea80fcSJames Wright     }
2722f638ed2SJames Wright     // avoid underflowed and poorly defined spectrum coefficients
2732f638ed2SJames Wright     stg_data[i] = Ek_tot != 0 ? 1 / Ek_tot : 0;
2748eea80fcSJames Wright   }
2758eea80fcSJames Wright   return 0;
2768eea80fcSJames Wright }
2778eea80fcSJames Wright 
27843bff553SJames Wright // Extrude the STGInflow profile through out the domain for an initial condition
27942454adaSJames Wright CEED_QFUNCTION(ICsStg)(void *ctx, CeedInt Q, const CeedScalar *const *in, CeedScalar *const *out) {
2803d65b166SJames Wright   const CeedScalar(*x)[CEED_Q_VLA]    = (const CeedScalar(*)[CEED_Q_VLA])in[0];
2814f0244d1SJeremy L Thompson   const CeedScalar(*J)[3][CEED_Q_VLA] = (const CeedScalar(*)[3][CEED_Q_VLA])in[1];
28243bff553SJames Wright   CeedScalar(*q0)[CEED_Q_VLA]         = (CeedScalar(*)[CEED_Q_VLA])out[0];
28343bff553SJames Wright 
28442454adaSJames Wright   const StgShur14Context stg_ctx = (StgShur14Context)ctx;
285d4e0f297SJames Wright   CeedScalar             qn[STG_NMODES_MAX], u[3], ubar[3], cij[6], eps, lt;
286d4e0f297SJames Wright   const CeedScalar       dx     = stg_ctx->dx;
287d4e0f297SJames Wright   const CeedScalar       time   = stg_ctx->time;
28843bff553SJames Wright   const CeedScalar       theta0 = stg_ctx->theta0;
28943bff553SJames Wright   const CeedScalar       P0     = stg_ctx->P0;
29043bff553SJames Wright   const CeedScalar       cv     = stg_ctx->newtonian_ctx.cv;
2913d65b166SJames Wright   const CeedScalar       rho    = P0 / (GasConstant(&stg_ctx->newtonian_ctx) * theta0);
2923d65b166SJames Wright   const CeedScalar       nu     = stg_ctx->newtonian_ctx.mu / rho;
29343bff553SJames Wright 
2942b916ea7SJeremy L Thompson   CeedPragmaSIMD for (CeedInt i = 0; i < Q; i++) {
295d4e0f297SJames Wright     const CeedScalar x_i[3] = {x[0][i], x[1][i], x[2][i]};
2964f0244d1SJeremy L Thompson     CeedScalar       dXdx[3][3];
2971a74fa30SJames Wright     InvertMappingJacobian_3D(Q, i, J, dXdx, NULL);
298*84b557acSJames Wright     CeedScalar h_node_sep[3];
299*84b557acSJames Wright     h_node_sep[0] = dx;
300*84b557acSJames Wright     for (CeedInt j = 1; j < 3; j++) h_node_sep[j] = 2 / sqrt(Square(dXdx[0][j]) + Square(dXdx[1][j]) + Square(dXdx[2][j]));
301*84b557acSJames Wright     ScaleN(h_node_sep, stg_ctx->h_scale_factor, 3);
302d4e0f297SJames Wright 
303d4e0f297SJames Wright     InterpolateProfile(x_i[1], ubar, cij, &eps, &lt, stg_ctx);
304d4e0f297SJames Wright     if (stg_ctx->use_fluctuating_IC) {
305*84b557acSJames Wright       CalcSpectrum(x_i[1], eps, lt, h_node_sep, nu, qn, stg_ctx);
30642454adaSJames Wright       StgShur14Calc(x_i, time, ubar, cij, qn, u, stg_ctx);
307d4e0f297SJames Wright     } else {
308d4e0f297SJames Wright       for (CeedInt j = 0; j < 3; j++) u[j] = ubar[j];
309d4e0f297SJames Wright     }
31043bff553SJames Wright 
3113636f6a4SJames Wright     switch (stg_ctx->newtonian_ctx.state_var) {
3123636f6a4SJames Wright       case STATEVAR_CONSERVATIVE:
31343bff553SJames Wright         q0[0][i] = rho;
31443bff553SJames Wright         q0[1][i] = u[0] * rho;
31543bff553SJames Wright         q0[2][i] = u[1] * rho;
31643bff553SJames Wright         q0[3][i] = u[2] * rho;
31743bff553SJames Wright         q0[4][i] = rho * (0.5 * Dot3(u, u) + cv * theta0);
3183636f6a4SJames Wright         break;
3193636f6a4SJames Wright 
3203636f6a4SJames Wright       case STATEVAR_PRIMITIVE:
3213636f6a4SJames Wright         q0[0][i] = P0;
3223636f6a4SJames Wright         q0[1][i] = u[0];
3233636f6a4SJames Wright         q0[2][i] = u[1];
3243636f6a4SJames Wright         q0[3][i] = u[2];
3253636f6a4SJames Wright         q0[4][i] = theta0;
3263636f6a4SJames Wright         break;
32788243482SJames Wright     }
328b193fadcSJames Wright   }
32943bff553SJames Wright   return 0;
33043bff553SJames Wright }
33143bff553SJames Wright 
332493642f1SJames Wright /********************************************************************
333493642f1SJames Wright  * @brief QFunction to calculate the inflow boundary condition
334493642f1SJames Wright  *
335493642f1SJames Wright  * This will loop through quadrature points, calculate the wavemode amplitudes
336493642f1SJames Wright  * at each location, then calculate the actual velocity.
337493642f1SJames Wright  */
33842454adaSJames Wright CEED_QFUNCTION(StgShur14Inflow)(void *ctx, CeedInt Q, const CeedScalar *const *in, CeedScalar *const *out) {
3393d65b166SJames Wright   const CeedScalar(*q)[CEED_Q_VLA] = (const CeedScalar(*)[CEED_Q_VLA])in[0];
340ade49511SJames Wright   const CeedScalar(*q_data_sur)    = in[2];
3413d65b166SJames Wright   const CeedScalar(*X)[CEED_Q_VLA] = (const CeedScalar(*)[CEED_Q_VLA])in[3];
342493642f1SJames Wright 
3433d65b166SJames Wright   CeedScalar(*v)[CEED_Q_VLA] = (CeedScalar(*)[CEED_Q_VLA])out[0];
344ade49511SJames Wright   CeedScalar(*jac_data_sur)  = out[1];
345493642f1SJames Wright 
34642454adaSJames Wright   const StgShur14Context stg_ctx = (StgShur14Context)ctx;
347493642f1SJames Wright   CeedScalar             qn[STG_NMODES_MAX], u[3], ubar[3], cij[6], eps, lt;
348493642f1SJames Wright   const bool             is_implicit = stg_ctx->is_implicit;
349493642f1SJames Wright   const bool             mean_only   = stg_ctx->mean_only;
350493642f1SJames Wright   const bool             prescribe_T = stg_ctx->prescribe_T;
351493642f1SJames Wright   const CeedScalar       dx          = stg_ctx->dx;
352493642f1SJames Wright   const CeedScalar       mu          = stg_ctx->newtonian_ctx.mu;
353493642f1SJames Wright   const CeedScalar       time        = stg_ctx->time;
354493642f1SJames Wright   const CeedScalar       theta0      = stg_ctx->theta0;
355493642f1SJames Wright   const CeedScalar       P0          = stg_ctx->P0;
356493642f1SJames Wright   const CeedScalar       cv          = stg_ctx->newtonian_ctx.cv;
3573d65b166SJames Wright   const CeedScalar       Rd          = GasConstant(&stg_ctx->newtonian_ctx);
3583d65b166SJames Wright   const CeedScalar       gamma       = HeatCapacityRatio(&stg_ctx->newtonian_ctx);
359493642f1SJames Wright 
3602b916ea7SJeremy L Thompson   CeedPragmaSIMD for (CeedInt i = 0; i < Q; i++) {
361493642f1SJames Wright     const CeedScalar rho = prescribe_T ? q[0][i] : P0 / (Rd * theta0);
362493642f1SJames Wright     const CeedScalar x[] = {X[0][i], X[1][i], X[2][i]};
363ade49511SJames Wright     CeedScalar       wdetJb, dXdx[2][3], norm[3];
364ade49511SJames Wright     QdataBoundaryUnpack_3D(Q, i, q_data_sur, &wdetJb, dXdx, norm);
365ade49511SJames Wright     wdetJb *= is_implicit ? -1. : 1.;
366493642f1SJames Wright 
367*84b557acSJames Wright     CeedScalar h_node_sep[3];
368*84b557acSJames Wright     h_node_sep[0] = dx;
369*84b557acSJames Wright     for (CeedInt j = 1; j < 3; j++) h_node_sep[j] = 2 / sqrt(Square(dXdx[0][j]) + Square(dXdx[1][j]));
370*84b557acSJames Wright     ScaleN(h_node_sep, stg_ctx->h_scale_factor, 3);
371493642f1SJames Wright 
372493642f1SJames Wright     InterpolateProfile(X[1][i], ubar, cij, &eps, &lt, stg_ctx);
373493642f1SJames Wright     if (!mean_only) {
374*84b557acSJames Wright       CalcSpectrum(X[1][i], eps, lt, h_node_sep, mu / rho, qn, stg_ctx);
37542454adaSJames Wright       StgShur14Calc(x, time, ubar, cij, qn, u, stg_ctx);
376493642f1SJames Wright     } else {
377493642f1SJames Wright       for (CeedInt j = 0; j < 3; j++) u[j] = ubar[j];
378493642f1SJames Wright     }
379493642f1SJames Wright 
380a6e8f989SJames Wright     const CeedScalar E_kinetic = .5 * rho * Dot3(u, u);
381493642f1SJames Wright     CeedScalar       E_internal, P;
382493642f1SJames Wright     if (prescribe_T) {
383493642f1SJames Wright       // Temperature is being set weakly (theta0) and for constant cv this sets E_internal
384493642f1SJames Wright       E_internal = rho * cv * theta0;
385493642f1SJames Wright       // Find pressure using
386493642f1SJames Wright       P = rho * Rd * theta0;  // interior rho with exterior T
387493642f1SJames Wright     } else {
388493642f1SJames Wright       E_internal = q[4][i] - E_kinetic;  // uses prescribed rho and u, E from solution
389493642f1SJames Wright       P          = E_internal * (gamma - 1.);
390493642f1SJames Wright     }
391493642f1SJames Wright 
392493642f1SJames Wright     const CeedScalar E = E_internal + E_kinetic;
393493642f1SJames Wright 
394493642f1SJames Wright     // Velocity normal to the boundary
395a6e8f989SJames Wright     const CeedScalar u_normal = Dot3(norm, u);
396a6e8f989SJames Wright 
397493642f1SJames Wright     // The Physics
398493642f1SJames Wright     // Zero v so all future terms can safely sum into it
399493642f1SJames Wright     for (CeedInt j = 0; j < 5; j++) v[j][i] = 0.;
400493642f1SJames Wright 
401493642f1SJames Wright     // The Physics
402493642f1SJames Wright     // -- Density
403493642f1SJames Wright     v[0][i] -= wdetJb * rho * u_normal;
404493642f1SJames Wright 
405493642f1SJames Wright     // -- Momentum
4062b916ea7SJeremy L Thompson     for (CeedInt j = 0; j < 3; j++) v[j + 1][i] -= wdetJb * (rho * u_normal * u[j] + norm[j] * P);
407493642f1SJames Wright 
408493642f1SJames Wright     // -- Total Energy Density
409493642f1SJames Wright     v[4][i] -= wdetJb * u_normal * (E + P);
410a6e8f989SJames Wright 
411ade49511SJames Wright     const CeedScalar U[] = {rho, u[0], u[1], u[2], E}, kmstress[6] = {0.};
412ade49511SJames Wright     StoredValuesPack(Q, i, 0, 5, U, jac_data_sur);
413ade49511SJames Wright     StoredValuesPack(Q, i, 5, 6, kmstress, jac_data_sur);
414493642f1SJames Wright   }
415493642f1SJames Wright   return 0;
416493642f1SJames Wright }
417493642f1SJames Wright 
41842454adaSJames Wright CEED_QFUNCTION(StgShur14Inflow_Jacobian)(void *ctx, CeedInt Q, const CeedScalar *const *in, CeedScalar *const *out) {
4193d65b166SJames Wright   const CeedScalar(*dq)[CEED_Q_VLA]           = (const CeedScalar(*)[CEED_Q_VLA])in[0];
4203d65b166SJames Wright   const CeedScalar(*q_data_sur)[CEED_Q_VLA]   = (const CeedScalar(*)[CEED_Q_VLA])in[2];
4213d65b166SJames Wright   const CeedScalar(*jac_data_sur)[CEED_Q_VLA] = (const CeedScalar(*)[CEED_Q_VLA])in[4];
422a6e8f989SJames Wright   CeedScalar(*v)[CEED_Q_VLA]                  = (CeedScalar(*)[CEED_Q_VLA])out[0];
4233d65b166SJames Wright 
42442454adaSJames Wright   const StgShur14Context stg_ctx  = (StgShur14Context)ctx;
425a6e8f989SJames Wright   const bool             implicit = stg_ctx->is_implicit;
426a6e8f989SJames Wright   const CeedScalar       cv       = stg_ctx->newtonian_ctx.cv;
4273d65b166SJames Wright   const CeedScalar       Rd       = GasConstant(&stg_ctx->newtonian_ctx);
4283d65b166SJames Wright   const CeedScalar       gamma    = HeatCapacityRatio(&stg_ctx->newtonian_ctx);
429a6e8f989SJames Wright 
430a6e8f989SJames Wright   const CeedScalar theta0      = stg_ctx->theta0;
431a6e8f989SJames Wright   const bool       prescribe_T = stg_ctx->prescribe_T;
432a6e8f989SJames Wright 
433b193fadcSJames Wright   CeedPragmaSIMD for (CeedInt i = 0; i < Q; i++) {
434a6e8f989SJames Wright     // Setup
435a6e8f989SJames Wright     // -- Interp-to-Interp q_data
436a6e8f989SJames Wright     // For explicit mode, the surface integral is on the RHS of ODE q_dot = f(q).
437a6e8f989SJames Wright     // For implicit mode, it gets pulled to the LHS of implicit ODE/DAE g(q_dot, q).
438a6e8f989SJames Wright     // We can effect this by swapping the sign on this weight
439a6e8f989SJames Wright     const CeedScalar wdetJb = (implicit ? -1. : 1.) * q_data_sur[0][i];
440a6e8f989SJames Wright 
441a6e8f989SJames Wright     // Calculate inflow values
442a6e8f989SJames Wright     CeedScalar velocity[3];
443a6e8f989SJames Wright     for (CeedInt j = 0; j < 3; j++) velocity[j] = jac_data_sur[5 + j][i];
444ade49511SJames Wright     // TODO This is almost certainly a bug. Velocity isn't stored here, only 0s.
445a6e8f989SJames Wright 
446a6e8f989SJames Wright     // enabling user to choose between weak T and weak rho inflow
447a6e8f989SJames Wright     CeedScalar drho, dE, dP;
448a6e8f989SJames Wright     if (prescribe_T) {
449a6e8f989SJames Wright       // rho should be from the current solution
450a6e8f989SJames Wright       drho                   = dq[0][i];
451a6e8f989SJames Wright       CeedScalar dE_internal = drho * cv * theta0;
452a6e8f989SJames Wright       CeedScalar dE_kinetic  = .5 * drho * Dot3(velocity, velocity);
453a6e8f989SJames Wright       dE                     = dE_internal + dE_kinetic;
454a6e8f989SJames Wright       dP                     = drho * Rd * theta0;  // interior rho with exterior T
455a6e8f989SJames Wright     } else {                                        // rho specified, E_internal from solution
456a6e8f989SJames Wright       drho = 0;
457a6e8f989SJames Wright       dE   = dq[4][i];
458a6e8f989SJames Wright       dP   = dE * (gamma - 1.);
459a6e8f989SJames Wright     }
4602b916ea7SJeremy L Thompson     const CeedScalar norm[3] = {q_data_sur[1][i], q_data_sur[2][i], q_data_sur[3][i]};
461a6e8f989SJames Wright 
462a6e8f989SJames Wright     const CeedScalar u_normal = Dot3(norm, velocity);
463a6e8f989SJames Wright 
464a6e8f989SJames Wright     v[0][i] = -wdetJb * drho * u_normal;
4652b916ea7SJeremy L Thompson     for (int j = 0; j < 3; j++) v[j + 1][i] = -wdetJb * (drho * u_normal * velocity[j] + norm[j] * dP);
466a6e8f989SJames Wright     v[4][i] = -wdetJb * u_normal * (dE + dP);
467b193fadcSJames Wright   }
468a6e8f989SJames Wright   return 0;
469a6e8f989SJames Wright }
470a6e8f989SJames Wright 
471b7190ff7SJames Wright /********************************************************************
472b7190ff7SJames Wright  * @brief QFunction to calculate the strongly enforce inflow BC
473b7190ff7SJames Wright  *
474b7190ff7SJames Wright  * This QF is for the strong application of STG via libCEED (rather than
475b7190ff7SJames Wright  * through the native PETSc `DMAddBoundary` -> `bcFunc` method.
476b7190ff7SJames Wright  */
47742454adaSJames Wright CEED_QFUNCTION(StgShur14InflowStrongQF)(void *ctx, CeedInt Q, const CeedScalar *const *in, CeedScalar *const *out) {
4786f188493SJames Wright   const CeedScalar(*dXdx_q)[3][CEED_Q_VLA] = (const CeedScalar(*)[3][CEED_Q_VLA])in[0];
4793d65b166SJames Wright   const CeedScalar(*coords)[CEED_Q_VLA]    = (const CeedScalar(*)[CEED_Q_VLA])in[1];
4803d65b166SJames Wright   const CeedScalar(*scale)                 = (const CeedScalar(*))in[2];
4819ef62cddSJames Wright   const CeedScalar(*inv_Ektotal)           = (const CeedScalar(*))in[3];
482b7190ff7SJames Wright   CeedScalar(*bcval)[CEED_Q_VLA]           = (CeedScalar(*)[CEED_Q_VLA])out[0];
483b7190ff7SJames Wright 
48442454adaSJames Wright   const StgShur14Context stg_ctx = (StgShur14Context)ctx;
48570b0cb14SJames Wright   CeedScalar             u[3], ubar[3], cij[6], eps, lt;
486b7190ff7SJames Wright   const bool             mean_only = stg_ctx->mean_only;
487b7190ff7SJames Wright   const CeedScalar       dx        = stg_ctx->dx;
488b7190ff7SJames Wright   const CeedScalar       time      = stg_ctx->time;
489b7190ff7SJames Wright   const CeedScalar       theta0    = stg_ctx->theta0;
490b7190ff7SJames Wright   const CeedScalar       P0        = stg_ctx->P0;
4913d65b166SJames Wright   const CeedScalar       rho       = P0 / (GasConstant(&stg_ctx->newtonian_ctx) * theta0);
4923d65b166SJames Wright   const CeedScalar       nu        = stg_ctx->newtonian_ctx.mu / rho;
493b7190ff7SJames Wright 
4942b916ea7SJeremy L Thompson   CeedPragmaSIMD for (CeedInt i = 0; i < Q; i++) {
495b7190ff7SJames Wright     const CeedScalar x[]        = {coords[0][i], coords[1][i], coords[2][i]};
496b7190ff7SJames Wright     const CeedScalar dXdx[2][3] = {
4976f188493SJames Wright         {dXdx_q[0][0][i], dXdx_q[0][1][i], dXdx_q[0][2][i]},
4986f188493SJames Wright         {dXdx_q[1][0][i], dXdx_q[1][1][i], dXdx_q[1][2][i]},
499b7190ff7SJames Wright     };
500b7190ff7SJames Wright 
501*84b557acSJames Wright     CeedScalar h_node_sep[3];
502*84b557acSJames Wright     h_node_sep[0] = dx;
503*84b557acSJames Wright     for (CeedInt j = 1; j < 3; j++) h_node_sep[j] = 2 / sqrt(Square(dXdx[0][j]) + Square(dXdx[1][j]));
504*84b557acSJames Wright     ScaleN(h_node_sep, stg_ctx->h_scale_factor, 3);
505b7190ff7SJames Wright 
506b7190ff7SJames Wright     InterpolateProfile(coords[1][i], ubar, cij, &eps, &lt, stg_ctx);
507b7190ff7SJames Wright     if (!mean_only) {
50870b0cb14SJames Wright       if (1) {
509*84b557acSJames Wright         StgShur14Calc_PrecompEktot(x, time, ubar, cij, inv_Ektotal[i], h_node_sep, x[1], eps, lt, nu, u, stg_ctx);
51070b0cb14SJames Wright       } else {  // Original way
51170b0cb14SJames Wright         CeedScalar qn[STG_NMODES_MAX];
512*84b557acSJames Wright         CalcSpectrum(coords[1][i], eps, lt, h_node_sep, nu, qn, stg_ctx);
51342454adaSJames Wright         StgShur14Calc(x, time, ubar, cij, qn, u, stg_ctx);
51470b0cb14SJames Wright       }
515b7190ff7SJames Wright     } else {
516b7190ff7SJames Wright       for (CeedInt j = 0; j < 3; j++) u[j] = ubar[j];
517b7190ff7SJames Wright     }
518b7190ff7SJames Wright 
5193636f6a4SJames Wright     switch (stg_ctx->newtonian_ctx.state_var) {
5203636f6a4SJames Wright       case STATEVAR_CONSERVATIVE:
521b7190ff7SJames Wright         bcval[0][i] = scale[i] * rho;
522b7190ff7SJames Wright         bcval[1][i] = scale[i] * rho * u[0];
523b7190ff7SJames Wright         bcval[2][i] = scale[i] * rho * u[1];
524b7190ff7SJames Wright         bcval[3][i] = scale[i] * rho * u[2];
52566531c8bSJames Wright         bcval[4][i] = 0.;
5263636f6a4SJames Wright         break;
5273636f6a4SJames Wright 
5283636f6a4SJames Wright       case STATEVAR_PRIMITIVE:
5293636f6a4SJames Wright         bcval[0][i] = 0;
5303636f6a4SJames Wright         bcval[1][i] = scale[i] * u[0];
5313636f6a4SJames Wright         bcval[2][i] = scale[i] * u[1];
5323636f6a4SJames Wright         bcval[3][i] = scale[i] * u[2];
5333636f6a4SJames Wright         bcval[4][i] = scale[i] * theta0;
5343636f6a4SJames Wright         break;
535b7190ff7SJames Wright     }
53688243482SJames Wright   }
537b7190ff7SJames Wright   return 0;
538b7190ff7SJames Wright }
539