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lines changed Original file line number Diff line number Diff line change @@ -374,8 +374,9 @@ void update_pos_tau(const Lattice& lat,
374374 bcast_atoms_tau (atoms, ntype);
375375}
376376
377+ template <typename T>
377378void update_pos_taud (const Lattice& lat,
378- const double * posd_in,
379+ const T * posd_in,
379380 const int ntype,
380381 const int nat,
381382 Atom* atoms)
@@ -407,8 +408,9 @@ void update_pos_taud(const Lattice& lat,
407408 Atom* atoms)
408409{
409410 int iat = 0 ;
410- for (int it = 0 ; it < ntype; it++) {
411- Atom* atom = &atoms[it];
411+ for (int it = 0 ; it < this ->ntype ; it++)
412+ {
413+ Atom* atom = &this ->atoms [it];
412414 for (int ia = 0 ; ia < atom->na ; ia++)
413415 {
414416 for (int ik = 0 ; ik < 3 ; ++ik)
@@ -419,9 +421,9 @@ void update_pos_taud(const Lattice& lat,
419421 iat++;
420422 }
421423 }
422- assert (iat == nat);
423- periodic_boundary_adjustment (atoms,lat. latvec ,ntype);
424- bcast_atoms_tau (atoms, ntype );
424+ assert (iat == this -> nat );
425+ unitcell:: periodic_boundary_adjustment (this -> atoms ,this -> latvec , this -> ntype );
426+ this -> bcast_atoms_tau ();
425427}
426428
427429void periodic_boundary_adjustment (Atom* atoms,
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