change ucell in pwdft/force.cpp

Author: A-006

source/module_esolver/esolver_ks_pw.cpp

@@ -619,7 +619,8 @@ void ESolver_KS_PW<T, Device>::cal_force(UnitCell& ucell, ModuleBase::matrix& fo
                            : reinterpret_cast<psi::Psi<std::complex<double>, Device>*>(this->kspw_psi);
 
     // Calculate forces
-    ff.cal_force(force,
+    ff.cal_force(ucell,
+                 force,
                  *this->pelec,
                  this->pw_rhod,
                  &ucell.symm,

source/module_esolver/esolver_of.cpp

@@ -538,7 +538,7 @@ double ESolver_OF::cal_energy()
 void ESolver_OF::cal_force(UnitCell& ucell, ModuleBase::matrix& force)
 {
     Forces<double> ff(ucell.nat);
-    ff.cal_force(force, *pelec, this->pw_rho, &ucell.symm, &sf, &this->locpp);
+    ff.cal_force(ucell,force, *pelec, this->pw_rho, &ucell.symm, &sf, &this->locpp);
 }
 
 /**

source/module_hamilt_lcao/hamilt_lcaodft/FORCE_STRESS.cpp

@@ -868,11 +868,11 @@ void Force_Stress_LCAO<T>::calForcePwPart(const UnitCell& ucell,
     // local pseudopotential force:
     // use charge density; plane wave; local pseudopotential;
     //--------------------------------------------------------
-    f_pw.cal_force_loc(fvl_dvl, rhopw, nlpp.vloc, chr);
+    f_pw.cal_force_loc(ucell,fvl_dvl, rhopw, nlpp.vloc, chr);
     //--------------------------------------------------------
     // ewald force: use plane wave only.
     //--------------------------------------------------------
-    f_pw.cal_force_ew(fewalds, rhopw, &sf); // remain problem
+    f_pw.cal_force_ew(ucell,fewalds, rhopw, &sf); // remain problem
 
     //--------------------------------------------------------
     // force due to core correlation.