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Cache wave extraction angular kernels

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(cherry picked from commit e4c25eb21f)
This commit is contained in:
CGH0S7
2026-04-13 12:40:20 +08:00
committed by ianchb
parent c589097618
commit cce8a44fc4
2 changed files with 357 additions and 217 deletions
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137
AMSS_NCKU_source/surface_integral.C
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@@ -36,7 +36,14 @@ using namespace std;
//| Constructor
//|============================================================================
surface_integral::surface_integral(int iSymmetry) : Symmetry(iSymmetry)
surface_integral::surface_integral(int iSymmetry) : Symmetry(iSymmetry),
wave_cache_spinw(-1),
wave_cache_maxl(-1),
wave_cache_modes(0),
wave_theta_pos(0),
wave_theta_neg(0),
wave_phi_cos(0),
wave_phi_sin(0)
{
MPI_Comm_rank(MPI_COMM_WORLD, &myrank);
MPI_Comm_size(MPI_COMM_WORLD, &cpusize);
@@ -182,6 +189,7 @@ surface_integral::surface_integral(int iSymmetry) : Symmetry(iSymmetry)
//|============================================================================
surface_integral::~surface_integral()
{
clear_wave_cache();
delete[] nx_g;
delete[] ny_g;
delete[] nz_g;
@@ -190,6 +198,65 @@ surface_integral::~surface_integral()
delete[] wtcostheta;
#endif
}
void surface_integral::clear_wave_cache()
{
delete[] wave_theta_pos;
delete[] wave_theta_neg;
delete[] wave_phi_cos;
delete[] wave_phi_sin;
wave_theta_pos = 0;
wave_theta_neg = 0;
wave_phi_cos = 0;
wave_phi_sin = 0;
wave_cache_spinw = -1;
wave_cache_maxl = -1;
wave_cache_modes = 0;
}
void surface_integral::build_wave_cache(int spinw, int maxl)
{
if (wave_cache_spinw == spinw && wave_cache_maxl == maxl && wave_theta_pos && wave_theta_neg && wave_phi_cos && wave_phi_sin)
return;
clear_wave_cache();
int modes = 0;
for (int pl = spinw; pl < maxl + 1; pl++)
for (int pm = -pl; pm < pl + 1; pm++)
modes++;
wave_theta_pos = new double[modes * N_theta];
wave_theta_neg = new double[modes * N_theta];
wave_phi_cos = new double[modes * N_phi];
wave_phi_sin = new double[modes * N_phi];
int countlm = 0;
for (int pl = spinw; pl < maxl + 1; pl++)
for (int pm = -pl; pm < pl + 1; pm++)
{
const double prefactor = sqrt((2 * pl + 1.0) / 4.0 / PI);
for (int i = 0; i < N_theta; i++)
{
#ifdef GaussInt
const double weight = wtcostheta[i];
#else
const double weight = 1.0;
#endif
wave_theta_pos[countlm * N_theta + i] = prefactor * misc::Wigner_d_function(pl, pm, spinw, arcostheta[i]) * weight;
wave_theta_neg[countlm * N_theta + i] = prefactor * misc::Wigner_d_function(pl, pm, spinw, -arcostheta[i]) * weight;
}
for (int j = 0; j < N_phi; j++)
{
const double phase = pm * (j + 0.5) * dphi;
wave_phi_cos[countlm * N_phi + j] = cos(phase);
wave_phi_sin[countlm * N_phi + j] = sin(phase);
}
countlm++;
}
wave_cache_spinw = spinw;
wave_cache_maxl = maxl;
wave_cache_modes = modes;
}
//|----------------------------------------------------------------
// spin weighted spinw component of psi4, general routine
// l takes from spinw to maxl; m takes from -l to l
@@ -264,6 +331,39 @@ void surface_integral::surf_Wave(double rex, int lev, cgh *GH, var *Rpsi4, var *
lpsy = 8;
double psi4RR, psi4II;
if (Symmetry == 0 || Symmetry == 1)
{
build_wave_cache(spinw, maxl);
for (n = Nmin; n <= Nmax; n++)
{
i = int(n / N_phi);
j = n - i * N_phi;
const double psi4RR0 = shellf[InList * n];
const double psi4II0 = shellf[InList * n + 1];
const double psi4RR1 = Rpsi4->SoA[2] * psi4RR0;
const double psi4II1 = Ipsi4->SoA[2] * psi4II0;
for (int countlm = 0; countlm < wave_cache_modes; countlm++)
{
const int theta_idx = countlm * N_theta + i;
const int phi_idx = countlm * N_phi + j;
const double theta_pos = wave_theta_pos[theta_idx];
const double cosmphi_here = wave_phi_cos[phi_idx];
const double sinmphi_here = wave_phi_sin[phi_idx];
RP_out[countlm] += theta_pos * (psi4RR0 * cosmphi_here + psi4II0 * sinmphi_here);
IP_out[countlm] += theta_pos * (psi4II0 * cosmphi_here - psi4RR0 * sinmphi_here);
if (Symmetry == 1)
{
const double theta_neg = wave_theta_neg[theta_idx];
RP_out[countlm] += theta_neg * (psi4RR1 * cosmphi_here + psi4II1 * sinmphi_here);
IP_out[countlm] += theta_neg * (psi4II1 * cosmphi_here - psi4RR1 * sinmphi_here);
}
}
}
}
else
{
for (n = Nmin; n <= Nmax; n++)
{
// need round off always
@@ -348,6 +448,7 @@ void surface_integral::surf_Wave(double rex, int lev, cgh *GH, var *Rpsi4, var *
countlm++; // no sanity check for countlm and NN which should be noted in the input parameters
}
}
}
for (int ii = 0; ii < NN; ii++)
{
@@ -466,6 +567,39 @@ void surface_integral::surf_Wave(double rex, int lev, cgh *GH, var *Rpsi4, var *
lpsy = 8;
double psi4RR, psi4II;
if (Symmetry == 0 || Symmetry == 1)
{
build_wave_cache(spinw, maxl);
for (n = Nmin; n <= Nmax; n++)
{
i = int(n / N_phi);
j = n - i * N_phi;
const double psi4RR0 = shellf[InList * n];
const double psi4II0 = shellf[InList * n + 1];
const double psi4RR1 = Rpsi4->SoA[2] * psi4RR0;
const double psi4II1 = Ipsi4->SoA[2] * psi4II0;
for (int countlm = 0; countlm < wave_cache_modes; countlm++)
{
const int theta_idx = countlm * N_theta + i;
const int phi_idx = countlm * N_phi + j;
const double theta_pos = wave_theta_pos[theta_idx];
const double cosmphi_here = wave_phi_cos[phi_idx];
const double sinmphi_here = wave_phi_sin[phi_idx];
RP_out[countlm] += theta_pos * (psi4RR0 * cosmphi_here + psi4II0 * sinmphi_here);
IP_out[countlm] += theta_pos * (psi4II0 * cosmphi_here - psi4RR0 * sinmphi_here);
if (Symmetry == 1)
{
const double theta_neg = wave_theta_neg[theta_idx];
RP_out[countlm] += theta_neg * (psi4RR1 * cosmphi_here + psi4II1 * sinmphi_here);
IP_out[countlm] += theta_neg * (psi4II1 * cosmphi_here - psi4RR1 * sinmphi_here);
}
}
}
}
else
{
for (n = Nmin; n <= Nmax; n++)
{
// need round off always
@@ -550,6 +684,7 @@ void surface_integral::surf_Wave(double rex, int lev, cgh *GH, var *Rpsi4, var *
countlm++; // no sanity check for countlm and NN which should be noted in the input parameters
}
}
}
for (int ii = 0; ii < NN; ii++)
{

5
AMSS_NCKU_source/surface_integral.h
View File

@@ -36,6 +36,11 @@ private:
double *nx_g, *ny_g, *nz_g; // global list of unit normals
int myrank, cpusize;
int wave_cache_spinw, wave_cache_maxl, wave_cache_modes;
double *wave_theta_pos, *wave_theta_neg;
double *wave_phi_cos, *wave_phi_sin;
void clear_wave_cache();
void build_wave_cache(int spinw, int maxl);
public:
surface_integral(int iSymmetry);