mirror of
https://github.com/cosmo-sims/monofonIC.git
synced 2024-09-19 17:03:45 +02:00
184 lines
6.2 KiB
C++
184 lines
6.2 KiB
C++
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#pragma once
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#include <general.hh>
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#include <unistd.h> // for unlink
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#include <iostream>
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#include <fstream>
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#include <random>
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#include <mat3.hh>
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namespace particle{
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//! implement Marcos et al. PLT calculation
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inline void test_plt( void ){
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csoca::ilog << "-------------------------------------------------------------------------------" << std::endl;
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csoca::ilog << "Testing PLT implementation..." << std::endl;
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real_t boxlen = 1.0;
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size_t ngrid = 64;
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size_t npgrid = 1;
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size_t dpg = ngrid/npgrid;
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size_t nump = npgrid*npgrid*npgrid;
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real_t pweight = 1.0/real_t(nump);
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real_t eta = 2.0 * boxlen/ngrid;
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const real_t alpha = 1.0/std::sqrt(2)/eta;
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const real_t alpha2 = alpha*alpha;
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const real_t alpha3 = alpha2*alpha;
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const real_t sqrtpi = std::sqrt(M_PI);
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const real_t pi3halfs = std::pow(M_PI,1.5);
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const real_t dV( std::pow( boxlen/ngrid, 3 ) );
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Grid_FFT<real_t> rho({ngrid, ngrid, ngrid}, {boxlen, boxlen, boxlen});
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std::vector< vec3<real_t> > gpos ;
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auto kronecker = []( int i, int j ) -> real_t { return (i==j)? 1.0 : 0.0; };
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auto greensftide_sr = [&]( int mu, int nu, const vec3<real_t>& vR, const vec3<real_t>& vP ) -> real_t {
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auto d = vR-vP;
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d.x = (d.x>0.5)? d.x-1.0 : (d.x<-0.5)? d.x+1.0 : d.x;
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d.y = (d.y>0.5)? d.y-1.0 : (d.y<-0.5)? d.y+1.0 : d.y;
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d.z = (d.z>0.5)? d.z-1.0 : (d.z<-0.5)? d.z+1.0 : d.z;
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auto r = d.norm();
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if( r< 1e-14 ) return 0.0;
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real_t val = 0.0;
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val -= d[mu]*d[nu]/(r*r) * alpha3/pi3halfs * std::exp(-alpha*alpha*r*r);
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val += 1.0/(4.0*M_PI)*(kronecker(mu,nu)/std::pow(r,3) - 3.0 * (d[mu]*d[nu])/std::pow(r,5)) *
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(std::erfc(alpha*r) + 2.0*alpha/sqrtpi*std::exp(-alpha*alpha*r*r)*r);
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return pweight * val;
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};
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gpos.reserve(nump);
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// sc
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for( size_t i=0; i<npgrid; ++i ){
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for( size_t j=0; j<npgrid; ++j ){
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for( size_t k=0; k<npgrid; ++k ){
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rho.relem(i*dpg,j*dpg,k*dpg) = pweight/dV;
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gpos.push_back({real_t(i)/npgrid,real_t(j)/npgrid,real_t(k)/npgrid});
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}
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}
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}
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rho.FourierTransformForward();
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rho.apply_function_k_dep([&](auto x, auto k) -> ccomplex_t {
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real_t kmod = k.norm();
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return -x * std::exp(-0.5*eta*eta*kmod*kmod) / (kmod*kmod);
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});
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rho.zero_DC_mode();
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auto evaluate_D = [&]( int mu, int nu, const vec3<real_t>& v ) -> real_t{
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real_t sr = 0.0;
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for( auto& p : gpos ){
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sr += greensftide_sr( mu, nu, v, p);
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}
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if( v.norm()<1e-14 ) return 0.0;
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return sr;
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};
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// std::random_device rd; //Will be used to obtain a seed for the random number engine
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// std::mt19937 gen(rd()); //Standard mersenne_twister_engine seeded with rd()
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// std::uniform_real_distribution<> dis(-0.25,0.25);
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Grid_FFT<real_t> D_xx({ngrid, ngrid, ngrid}, {boxlen, boxlen, boxlen});
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Grid_FFT<real_t> D_xy({ngrid, ngrid, ngrid}, {boxlen, boxlen, boxlen});
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Grid_FFT<real_t> D_xz({ngrid, ngrid, ngrid}, {boxlen, boxlen, boxlen});
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Grid_FFT<real_t> D_yy({ngrid, ngrid, ngrid}, {boxlen, boxlen, boxlen});
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Grid_FFT<real_t> D_yz({ngrid, ngrid, ngrid}, {boxlen, boxlen, boxlen});
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Grid_FFT<real_t> D_zz({ngrid, ngrid, ngrid}, {boxlen, boxlen, boxlen});
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#pragma omp parallel for
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for( size_t i=0; i<ngrid; i++ ){
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vec3<real_t> p;
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p.x = real_t(i)/ngrid;
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for( size_t j=0; j<ngrid; j++ ){
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p.y = real_t(j)/ngrid;
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for( size_t k=0; k<ngrid; k++ ){
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p.z = real_t(k)/ngrid;
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D_xx.relem(i,j,k) = evaluate_D(0,0,p);
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D_xy.relem(i,j,k) = evaluate_D(0,1,p);
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D_xz.relem(i,j,k) = evaluate_D(0,2,p);
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D_yy.relem(i,j,k) = evaluate_D(1,1,p);
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D_yz.relem(i,j,k) = evaluate_D(1,2,p);
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D_zz.relem(i,j,k) = evaluate_D(2,2,p);
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//D = {evaluate_D(0,0,p),evaluate_D(0,1,p),evaluate_D(0,2,p),evaluate_D(1,0,p),evaluate_D(1,1,p),evaluate_D(2,2,p)};
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//D.eigen(eval, evec1, evec2, evec3);
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//rho.relem(i,j,k) = eval[2];
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}
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}
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}
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D_xx.relem(0,0,0) = 0.0;
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D_xy.relem(0,0,0) = 0.0;
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D_xz.relem(0,0,0) = 0.0;
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D_yy.relem(0,0,0) = 0.0;
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D_yz.relem(0,0,0) = 0.0;
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D_zz.relem(0,0,0) = 0.0;
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D_xx.FourierTransformForward();
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D_xy.FourierTransformForward();
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D_xz.FourierTransformForward();
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D_yy.FourierTransformForward();
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D_yz.FourierTransformForward();
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D_zz.FourierTransformForward();
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std::ofstream ofs("test_ewald.txt");
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real_t nfac = 1.0/std::pow(real_t(ngrid),1.5);
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real_t kNyquist = M_PI/boxlen * ngrid;
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//#pragma omp parallel for
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for( size_t i=0; i<D_xx.size(0); i++ ){
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mat3s<real_t> D;
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vec3<real_t> eval, evec1, evec2, evec3;
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for( size_t j=0; j<D_xx.size(1); j++ ){
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for( size_t k=0; k<D_xx.size(2); k++ ){
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vec3<real_t> kv = D_xx.get_k<real_t>(i,j,k);
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D = { std::real(D_xx.kelem(i,j,k) - kv[0]*kv[0] * rho.kelem(i,j,k) ),
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std::real(D_xy.kelem(i,j,k) - kv[0]*kv[1] * rho.kelem(i,j,k) ),
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std::real(D_xz.kelem(i,j,k) - kv[0]*kv[2] * rho.kelem(i,j,k) ),
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std::real(D_yy.kelem(i,j,k) - kv[1]*kv[1] * rho.kelem(i,j,k) ),
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std::real(D_yz.kelem(i,j,k) - kv[1]*kv[2] * rho.kelem(i,j,k) ),
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std::real(D_zz.kelem(i,j,k) - kv[2]*kv[2] * rho.kelem(i,j,k) ) };
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D.eigen(eval, evec1, evec2, evec3);
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ofs << std::setw(16) << kv.norm() / kNyquist
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<< std::setw(16) << eval[0] *nfac + 1.0/3.0
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<< std::setw(16) << eval[1] *nfac + 1.0/3.0
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<< std::setw(16) << eval[2] *nfac + 1.0/3.0
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<< std::setw(16) << kv[0]
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<< std::setw(16) << kv[1]
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<< std::setw(16) << kv[2]
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<< std::endl;
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}
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}
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}
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// std::string filename("plt_test.hdf5");
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// unlink(filename.c_str());
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// #if defined(USE_MPI)
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// MPI_Barrier(MPI_COMM_WORLD);
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// #endif
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// rho.Write_to_HDF5(filename, "rho");
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}
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}
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