File tree Expand file tree Collapse file tree 1 file changed +3
-3
lines changed
source/source_hamilt/module_xc Expand file tree Collapse file tree 1 file changed +3
-3
lines changed Original file line number Diff line number Diff line change @@ -245,12 +245,12 @@ std::vector<std::vector<double>> XC_Functional_Libxc::cal_dh(
245245 const double tpiba,
246246 const Charge* const chr)
247247{
248- assert (nrxx>0 );
248+ // assert(nrxx>0); // this line will cause bug
249249 std::vector<std::vector<ModuleBase::Vector3<double >>> h (
250250 nspin,
251251 std::vector<ModuleBase::Vector3<double >>(nrxx) );
252252
253- if ( 1 ==nspin )
253+ if ( nspin== 1 )
254254 {
255255 #ifdef _OPENMP
256256 #pragma omp parallel for schedule(static, 1024)
@@ -292,7 +292,7 @@ ModuleBase::matrix XC_Functional_Libxc::convert_v_nspin4(
292292 const std::vector<double > &amag,
293293 const ModuleBase::matrix &v)
294294{
295- assert (nrxx>0 );
295+ // assert(nrxx>0);
296296 assert (PARAM.inp .nspin ==4 );
297297 constexpr double vanishing_charge = 1.0e-10 ;
298298 ModuleBase::matrix v_nspin4 (PARAM.inp .nspin , nrxx);
You can’t perform that action at this time.
0 commit comments