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llk_initialization of read_atoms.cpp #3900

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Merged
mohanchen merged 1 commit into from
Apr 3, 2024
Merged

llk_initialization of read_atoms.cpp #3900

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8 changes: 6 additions & 2 deletions source/module_cell/read_atoms.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -773,7 +773,9 @@ bool UnitCell::read_atom_positions(std::ifstream &ifpos, std::ofstream &ofs_runn
Coordinate=="Cartesian_angstrom_center_xyz" ||
Coordinate=="Cartesian_au")
{
double dx,dy,dz;
double dx=0.0;
double dy=0.0;
double dz=0.0;
ModuleBase::Mathzone::Cartesian_to_Direct(atoms[it].tau[ia].x, atoms[it].tau[ia].y, atoms[it].tau[ia].z,
latvec.e11, latvec.e12, latvec.e13,
latvec.e21, latvec.e22, latvec.e23,
Expand Down Expand Up @@ -1251,7 +1253,9 @@ void UnitCell::check_dtau(void)
atom1->taud[ia].y = dy2;
atom1->taud[ia].z = dz2;

double cx2, cy2, cz2;
double cx2=0.0;
double cy2=0.0;
double cz2=0.0;

ModuleBase::Mathzone::Direct_to_Cartesian(
atom1->taud[ia].x, atom1->taud[ia].y, atom1->taud[ia].z,
Expand Down