remove the useless files

source/Makefile.Objects

@@ -56,6 +56,7 @@ VPATH=./src_global:\
 ./module_hamilt_lcao/module_dftu:\
 ./module_hamilt_lcao/module_deltaspin:\
 ./module_hamilt_lcao/hamilt_lcaodft/operator_lcao:\
+./module_hamilt_lcao/hamilt_lcaodft/pulay_force_stress:\
 ./module_hamilt_lcao/module_gint:\
 ./module_relax:\
 ./module_relax/relax_old:\
@@ -562,10 +563,6 @@ OBJS_LCAO=evolve_elec.o\
       stress_tools.o\
       edm.o\
       pulay_force_stress_center2.o\
-	  fedm_gamma.o\
-	  fedm_k.o\
-	  ftvnl_dphi_gamma.o\
-	  ftvnl_dphi_k.o\
 	  fvnl_dbeta_gamma.o\
 	  fvnl_dbeta_k.o\
 	  grid_init.o\

source/module_hamilt_lcao/hamilt_lcaodft/CMakeLists.txt

@@ -21,10 +21,6 @@ if(ENABLE_LCAO)
         FORCE_k.cpp
         stress_tools.cpp
         edm.cpp
-        fedm_gamma.cpp
-        fedm_k.cpp
-        ftvnl_dphi_gamma.cpp
-        ftvnl_dphi_k.cpp
         fvnl_dbeta_gamma.cpp
         fvnl_dbeta_k.cpp
         grid_init.cpp

source/module_hamilt_lcao/hamilt_lcaodft/FORCE_gamma.cpp

@@ -217,16 +217,13 @@ void Force_LCAO<double>::ftable(const bool isforce,
     const double* dSx[3] = { fsr.DSloc_x, fsr.DSloc_y, fsr.DSloc_z };
     const double* dSxy[6] = { fsr.DSloc_11, fsr.DSloc_12, fsr.DSloc_13, fsr.DSloc_22, fsr.DSloc_23, fsr.DSloc_33 };
     // calculate the force related to 'energy density matrix'.
-    // this->cal_fedm(isforce, isstress, fsr, ucell,
-    //     this->cal_edm(pelec, *psi, *dm, *kv, pv, GlobalV::NSPIN, GlobalV::NBANDS, ucell, *ra), 
-    //     psi, pv, pelec, foverlap, soverlap);
     PulayForceStress::cal_pulay_fs(foverlap, soverlap,
         this->cal_edm(pelec, *psi, *dm, *kv, pv, GlobalV::NSPIN, GlobalV::NBANDS, ucell, *ra), 
         ucell, pv, dSx, dSxy, isforce, isstress);
 
     const double* dHx[3] = { fsr.DHloc_fixed_x, fsr.DHloc_fixed_y, fsr.DHloc_fixed_z };
     const double* dHxy[6] = { fsr.DHloc_fixed_11, fsr.DHloc_fixed_12, fsr.DHloc_fixed_13, fsr.DHloc_fixed_22, fsr.DHloc_fixed_23, fsr.DHloc_fixed_33 };
-    // this->cal_ftvnl_dphi(dm, pv, ucell, fsr, isforce, isstress, ftvnl_dphi, stvnl_dphi);
+    //tvnl_dphi
     PulayForceStress::cal_pulay_fs(ftvnl_dphi, stvnl_dphi, *dm, ucell, pv, dHx, dHxy, isforce, isstress);
 
     this->cal_fvnl_dbeta(dm,
@@ -240,6 +237,7 @@ void Force_LCAO<double>::ftable(const bool isforce,
                          fvnl_dbeta,
                          svnl_dbeta);
 
+    // vl_dphi
     PulayForceStress::cal_pulay_fs(fvl_dphi, svl_dphi, *dm, ucell, pelec->pot, gint, isforce, isstress, false/*reset dm to gint*/);
 
 #ifdef __DEEPKS

source/module_hamilt_lcao/hamilt_lcaodft/FORCE_k.cpp

@@ -313,20 +313,17 @@ void Force_LCAO<std::complex<double>>::ftable(const bool isforce,
     const double* dSx[3] = { fsr.DSloc_Rx, fsr.DSloc_Ry, fsr.DSloc_Rz };
     // calculate the energy density matrix
     // and the force related to overlap matrix and energy density matrix.
-    // this->cal_fedm(isforce, isstress, fsr, ucell, 
-    //     this->cal_edm(pelec, *psi, *dm, *kv, pv, GlobalV::NSPIN, GlobalV::NBANDS, ucell, *ra), 
-    //     psi, pv, pelec, foverlap, soverlap, kv, ra);
     PulayForceStress::cal_pulay_fs(foverlap, soverlap,
         this->cal_edm(pelec, *psi, *dm, *kv, pv, GlobalV::NSPIN, GlobalV::NBANDS, ucell, *ra), 
         ucell, pv, dSx, fsr.DH_r, isforce, isstress, ra, -1.0, 1.0);
 
     const double* dHx[3] = { fsr.DHloc_fixedR_x, fsr.DHloc_fixedR_y, fsr.DHloc_fixedR_z }; // T+Vnl
     const double* dHxy[6] = { fsr.stvnl11, fsr.stvnl12, fsr.stvnl13, fsr.stvnl22, fsr.stvnl23, fsr.stvnl33 };   //T
-    // this->cal_ftvnl_dphi(dm, pv, ucell, fsr, isforce, isstress, ftvnl_dphi, stvnl_dphi, ra);
+    // tvnl_dphi
     PulayForceStress::cal_pulay_fs(ftvnl_dphi, stvnl_dphi, *dm, ucell, pv, dHx, dHxy, isforce, isstress, ra, 1.0, -1.0);
 
     // doing on the real space grid.
-    // this->cal_fvl_dphi(isforce, isstress, pelec->pot, gint, fvl_dphi, svl_dphi);
+    // vl_dphi
     PulayForceStress::cal_pulay_fs(fvl_dphi, svl_dphi, *dm, ucell, pelec->pot, gint, isforce, isstress, false/*reset dm to gint*/);
 
     this->cal_fvnl_dbeta(dm,