fix gpu +U

Author: mohanchen

source/source_pw/module_pwdft/operator_pw/onsite_proj_pw.cpp

@@ -211,7 +211,6 @@ void OnsiteProj<OperatorPW<T, Device>>::cal_ps_delta_spin(const int npol, const
 
 template<typename T, typename Device>
 void OnsiteProj<OperatorPW<T, Device>>::cal_ps_dftu(
-		Plus_U &dftu, // mohan add 20251106
 		const int npol, 
 		const int m) const
 {
@@ -252,7 +251,7 @@ void OnsiteProj<OperatorPW<T, Device>>::cal_ps_dftu(
         for(int iat=0;iat<this->ucell->nat;iat++)
         {
             const int it = this->ucell->iat2it[iat];
-            const int target_l = dftu.orbital_corr[it];
+            const int target_l = this->dftu->orbital_corr[it];
             orb_l_iat0[iat] = target_l;
             const int nproj = onsite_p->get_nh(iat);
             if(target_l == -1)
@@ -291,10 +290,10 @@ void OnsiteProj<OperatorPW<T, Device>>::cal_ps_dftu(
         syncmem_int_h2d_op()(this->ip_m, ip_m0.data(), onsite_p->get_tot_nproj());
         syncmem_int_h2d_op()(this->vu_begin_iat, vu_begin_iat0.data(), this->ucell->nat);
 
-        resmem_complex_op()(this->vu_device, dftu.get_size_eff_pot_pw());
+        resmem_complex_op()(this->vu_device, dftu->get_size_eff_pot_pw());
     }
 
-    syncmem_complex_h2d_op()(this->vu_device, dftu.get_eff_pot_pw(0), dftu.get_size_eff_pot_pw());
+    syncmem_complex_h2d_op()(this->vu_device, dftu->get_eff_pot_pw(0), dftu->get_size_eff_pot_pw());
 
     hamilt::onsite_ps_op<Real, Device>()(
         this->ctx,   // device context
@@ -380,7 +379,6 @@ void OnsiteProj<OperatorPW<std::complex<float>, base_device::DEVICE_CPU>>::cal_p
 
 template<>
 void OnsiteProj<OperatorPW<std::complex<float>, base_device::DEVICE_CPU>>::cal_ps_dftu(
-		Plus_U &dftu,
 		const int npol, 
 		const int m) const
 {}
@@ -426,7 +424,7 @@ void OnsiteProj<OperatorPW<T, Device>>::act(
     ModuleBase::timer::tick("Operator", "OnsiteProjPW");
     this->update_becp(tmpsi_in, npol, nbands);
     this->cal_ps_delta_spin(npol, nbands);
-    this->cal_ps_dftu(*this->dftu, npol, nbands);
+    this->cal_ps_dftu(npol, nbands);
     this->add_onsite_proj(tmhpsi, npol, nbands);
     ModuleBase::timer::tick("Operator", "OnsiteProjPW");
 }

source/source_pw/module_pwdft/operator_pw/onsite_proj_pw.h

@@ -52,8 +52,7 @@ class OnsiteProj<OperatorPW<T, Device>> : public OperatorPW<T, Device>
   private:
     void cal_ps_delta_spin(const int npol, const int m) const;
 
-    // mohan add dftu 20251106
-    void cal_ps_dftu(Plus_U &dftu, const int npol, const int m) const;
+    void cal_ps_dftu(const int npol, const int m) const;
 
     void update_becp(const T* psi_in, const int npol, const int m) const;