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Gengdong committed Sep 10, 2021
1 parent 9739cbe commit 4888dc9
Showing 1 changed file with 3 additions and 3 deletions.
6 changes: 3 additions & 3 deletions source/src_lcao/dftu_relax.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -319,14 +319,14 @@ void DFTU_RELAX::cal_stress_gamma(const double* rho_VU)
const int one_int = 1;
const double zero = 0.0, minus_half=-0.5, one=1.0;

std::vector<double> dSR_gamma(GlobalC::ParaO.nloc);
std::vector<double> dm_VU_sover(GlobalC::ParaO.nloc);
std::vector<double> dSR_gamma(GlobalC::ParaO.nloc);
std::vector<double> dm_VU_sover(GlobalC::ParaO.nloc);

for(int dim1=0; dim1<3; dim1++)
{
for(int dim2=dim1; dim2<3; dim2++)
{
this->fold_dSR_gamma(dim1, dim2, &dSR_gamma[0]);
this->fold_dSR_gamma(dim1, dim2, &dSR_gamma[0]);

pdgemm_(&transN, &transN,
&GlobalV::NLOCAL, &GlobalV::NLOCAL, &GlobalV::NLOCAL,
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