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simonpintarelli committed Aug 23, 2024
1 parent 85fbf83 commit 052be9c
Showing 1 changed file with 6 additions and 6 deletions.
12 changes: 6 additions & 6 deletions src/symmetry/symmetrize_occupation_matrix.hpp
Original file line number Diff line number Diff line change
Expand Up @@ -49,11 +49,11 @@ symmetrize_occupation_matrix(Occupation_matrix& om__)
}

std::vector<std::vector<mdarray<double, 2>>> rotms(sym.size());
for(int isym = 0; isym < sym.size(); ++isym) {
int pr = sym[isym].spg_op.proper;
auto eang = sym[isym].spg_op.euler_angles;
auto tmp = sht::rotation_matrix<double>(4, eang, pr);
rotms[isym] = std::vector<mdarray<double,2>>(tmp.size());
for (int isym = 0; isym < sym.size(); ++isym) {
int pr = sym[isym].spg_op.proper;
auto eang = sym[isym].spg_op.euler_angles;
auto tmp = sht::rotation_matrix<double>(4, eang, pr);
rotms[isym] = std::vector<mdarray<double, 2>>(tmp.size());
for (int l = 0; l < static_cast<int>(tmp.size()); ++l) {
rotms[isym][l] = mdarray<double, 2>({tmp[l].size(0), tmp[l].size(1)});
auto_copy(rotms[isym][l], tmp[l]);
Expand All @@ -72,7 +72,7 @@ symmetrize_occupation_matrix(Occupation_matrix& om__)
// local_[at_lvl].zero();
mdarray<std::complex<double>, 3> dm_ia({lmmax_at, lmmax_at, 4});
for (int isym = 0; isym < sym.size(); isym++) {
auto& rotm = rotms[isym];
auto& rotm = rotms[isym];
auto spin_rot_su2 = rotation_matrix_su2(sym[isym].spin_rotation);

int iap = sym[isym].spg_op.inv_sym_atom[ia];
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