mirror/monofonIC
1
0
Fork 0
mirror of https://github.com/cosmo-sims/monofonIC.git synced 2024-09-19 17:03:45 +02:00
Code Releases Activity

added interpolation to approximate infinite lattice

Browse source
This commit is contained in:
Oliver Hahn 2019-12-01 20:10:58 +01:00
parent 0de486f552
commit 06fa3c128e
1 changed files with 42 additions and 66 deletions
Show stats Download patch file Download diff file Expand all files Collapse all files

108
include/particle_plt.hh
View file

@ -62,6 +62,7 @@ private:
0.0, 1.0, 0.5,
0.0, 0.0, 0.5,
};
const mat3<real_t> mat_reciprocal_bcc{
twopi, 0.0, 0.0,
0.0, twopi, 0.0,
@ -97,7 +98,7 @@ private:
};
//! select the properties for the chosen lattice
const int ilat = 1; // 0 = sc, 1 = bcc, 2 = fcc
const int ilat = 2; // 0 = sc, 1 = bcc, 2 = fcc
const auto mat_bravais = (ilat==2)? mat_bravais_fcc : (ilat==1)? mat_bravais_bcc : mat_bravais_sc;
const auto mat_reciprocal = (ilat==2)? mat_reciprocal_fcc : (ilat==1)? mat_reciprocal_bcc : mat_reciprocal_sc;
@ -355,80 +356,55 @@ private:
}
}
endloop: ;
}
}
}
// #pragma omp for
// for( size_t i=0; i<D_xx_.size(0); i++ )
// {
// for( size_t j=0; j<D_xx_.size(1); j++ )
// {
// for( size_t k=0; k<D_xx_.size(2); k++ )
// {
// auto idx = D_xx_.get_idx(i,j,k);
// vec3<real_t> kv = D_xx_.get_k<real_t>(i,j,k);
// // const real_t kmod = kv.norm()/mapratio_/boxlen_;
mu1.kelem(0,0,0) = 1.0;
// // put matrix elements into actual matrix
// D(0,0) = std::real(D_xx_.kelem(i,j,k)) / fft_norm12;
// D(0,1) = D(1,0) = std::real(D_xy_.kelem(i,j,k)) / fft_norm12;
// D(0,2) = D(2,0) = std::real(D_xz_.kelem(i,j,k)) / fft_norm12;
// D(1,1) = std::real(D_yy_.kelem(i,j,k)) / fft_norm12;
// D(1,2) = D(2,1) = std::real(D_yz_.kelem(i,j,k)) / fft_norm12;
// D(2,2) = std::real(D_zz_.kelem(i,j,k)) / fft_norm12;
// // compute eigenstructure of matrix
// D.eigen(eval, evec1, evec2, evec3);
// D_xx_.kelem(i,j,k) = eval[2];
// D_yy_.kelem(i,j,k) = eval[1];
// D_zz_.kelem(i,j,k) = eval[0];
// D_xy_.kelem(i,j,k) = evec3[0];
// D_xz_.kelem(i,j,k) = evec3[1];
// D_yz_.kelem(i,j,k) = evec3[2];
// vec3<real_t> ar = kv / (twopi*ngrid_);
// vec3<real_t> a(mat_reciprocal * ar);
// // translate the k-vectors into the "candidate" FBZ
// for( int l1=-numb; l1<=numb; ++l1 ){
// for( int l2=-numb; l2<=numb; ++l2 ){
// for( int l3=-numb; l3<=numb; ++l3 ){
// vectk_[idx] = a + mat_reciprocal * vec3<real_t>({real_t(l1),real_t(l2),real_t(l3)});
// if( check_FBZ( normals, vectk_[idx]) ){
// vecitk_[idx][0] = std::round(vectk_[idx][0]*(ngrid_)/twopi);
// vecitk_[idx][1] = std::round(vectk_[idx][1]*(ngrid_)/twopi);
// vecitk_[idx][2] = std::round(vectk_[idx][2]*(ngrid_)/twopi);
// ico_[idx][0] = std::round((ar[0]+l1) * ngrid_);
// ico_[idx][1] = std::round((ar[1]+l2) * ngrid_);
// ico_[idx][2] = std::round((ar[2]+l3) * ngrid_);
// #pragma omp critical
// {
// //ofs2 << vectk_[idx].norm() << " " << kv.norm() << " " << std::real(D_xx_.kelem(i,j,k)) << " " << std::real(D_yy_.kelem(i,j,k)) << " " << std::real(D_zz_.kelem(i,j,k)) << std::endl;
// ofs2 << vecitk_[idx][0] << " " << vecitk_[idx][1] << " " << vecitk_[idx][2] << " " << std::real(D_xx_.kelem(i,j,k)) << " " << std::real(D_yy_.kelem(i,j,k)) << " " << std::real(D_zz_.kelem(i,j,k)) << std::endl;
// }
// //goto endloop;
// }
// }
// }
// } endloop: ;
// }
// }
// }
//... approximate infinite lattice by inerpolating to sites not convered by current resolution...
if( ilat==1 ){
for( size_t i=0; i<D_xx_.size(0); i++ ){
for( size_t j=0; j<D_xx_.size(1); j++ ){
for( size_t k=0; k<D_xx_.size(2); k++ ){
if( std::real(mu1.kelem(i,j,k)) < 0.0001 ){
mu1.kelem(i,j,k) = 0.25 * (
mu1.kelem((nlattice+i-1)%nlattice,j,k)+ mu1.kelem((i+1)%nlattice,j,k)
+ mu1.kelem(i,(j+nlattice-1)%nlattice,k) + mu1.kelem(i,(j+1)%nlattice,k) );
}
}
}
}
}else if( ilat==2 ){
for( size_t i=0; i<D_xx_.size(0); i++ ){
for( size_t j=0; j<D_xx_.size(1); j++ ){
for( size_t k=0; k<D_xx_.size(2); k++ ){
if( std::real(mu1.kelem(i,j,k)) < 0.0001 ){
mu1.kelem(i,j,k) = 0.5 * (
mu1.kelem(i,(j+nlattice-1)%nlattice,k)
+ mu1.kelem(i,(j+1)%nlattice,k) );
}
}
}
}
for( size_t i=0; i<D_xx_.size(0); i++ ){
for( size_t j=0; j<D_xx_.size(1); j++ ){
for( size_t k=0; k<D_xx_.size(2); k++ ){
if( std::real(mu1.kelem(i,j,k)) < 0.0001 ){
mu1.kelem(i,j,k) = 0.5 * (
mu1.kelem((nlattice+i-1)%nlattice,j,k)
+ mu1.kelem((i+1)%nlattice,j,k) );
}
}
}
}
}
}
mu1.kelem(0,0,0) = 1.0;
mu1.Write_to_HDF5("debug.hdf5","mu1");
D_xy_.Write_to_HDF5("debug.hdf5","mu2");
D_xz_.Write_to_HDF5("debug.hdf5","mu3");