more cleanup

src/GW/GW_phBSE.f90

@@ -103,7 +103,7 @@ subroutine GW_phBSE(dophBSE2,TDA_W,TDA,dBSE,dTDA,singlet,triplet,eta,nBas,nC,nO,
       write(*,*) '*** Second-order BSE static kernel activated! ***'
       write(*,*) 
 
-      call static_kernel_W(eta,nBas,nC,nO,nV,nR,nS,1d0,ERI,OmRPA,rho_RPA,W)
+      call GW_phBSE_static_kernel(eta,nBas,nC,nO,nV,nR,nS,1d0,ERI,OmRPA,rho_RPA,W)
       call GW_phBSE2_static_kernel_A(eta,nBas,nC,nO,nV,nR,nS,1d0,eW,W,KA_sta)
 
       if(.not.TDA) call GW_phBSE2_static_kernel_B(eta,nBas,nC,nO,nV,nR,nS,1d0,eW,W,KB_sta)

src/GW/GW_phBSE_dynamic_perturbation.f90

@@ -69,7 +69,7 @@ subroutine GW_phBSE_dynamic_perturbation(dophBSE2,dTDA,eta,nBas,nC,nO,nV,nR,nS,e
     write(*,*)
 
     allocate(W(nBas,nBas,nBas,nBas))
-    call static_kernel_W(eta,nBas,nC,nO,nV,nR,nS,1d0,ERI,OmRPA,rho_RPA,W)
+    call GW_phBSE_static_kernel(eta,nBas,nC,nO,nV,nR,nS,1d0,ERI,OmRPA,rho_RPA,W)
 
   end if
 

src/GW/GW_phBSE_static_kernel.f90

@@ -1,4 +1,4 @@
-subroutine static_kernel_W(eta,nBas,nC,nO,nV,nR,nS,lambda,ERI,Om,rho,W)
+subroutine GW_phBSE_static_kernel(eta,nBas,nC,nO,nV,nR,nS,lambda,ERI,Om,rho,W)
 
 ! Compute the second-order static BSE kernel for the resonant block (only for singlets!)
 
@@ -55,4 +55,4 @@ subroutine static_kernel_W(eta,nBas,nC,nO,nV,nR,nS,lambda,ERI,Om,rho,W)
     enddo
   enddo
 
-end subroutine static_kernel_W
+end subroutine 

src/GW/UG0W0.f90

@@ -231,4 +231,4 @@ subroutine UG0W0(doACFDT,exchange_kernel,doXBS,BSE,TDA_W,TDA,dBSE,dTDA,spin_cons
 
   end if
 
-end subroutine UG0W0
+end subroutine 

src/GW/evUGW.f90

@@ -276,4 +276,4 @@ subroutine evUGW(maxSCF,thresh,max_diis,doACFDT,exchange_kernel,doXBS,BSE,TDA_W,
 
   end if
 
-end subroutine evUGW
+end subroutine 

src/GW/print_G0W0.f90

@@ -50,6 +50,4 @@ subroutine print_G0W0(nBas,nO,eHF,ENuc,ERHF,SigC,Z,eGW,EcRPA,EcGM)
   write(*,*)'-------------------------------------------------------------------------------'
   write(*,*)
 
-end subroutine print_G0W0
-
-
+end subroutine 

src/GW/print_UG0W0.f90

@@ -71,6 +71,4 @@ subroutine print_UG0W0(nBas,nO,eHF,ENuc,EUHF,SigC,Z,eGW,EcRPA,EcGM)
               -------------------------------------------------'
   write(*,*)
 
-end subroutine print_UG0W0
-
-
+end subroutine 

src/GW/print_evGW.f90

@@ -58,4 +58,4 @@ subroutine print_evGW(nBas,nO,nSCF,Conv,eHF,ENuc,ERHF,SigC,Z,eGW,EcRPA,EcGM)
   write(*,*)'-------------------------------------------------------------------------------'
   write(*,*)
 
-end subroutine print_evGW
+end subroutine 

src/GW/print_evUGW.f90

@@ -81,4 +81,4 @@ subroutine print_evUGW(nBas,nO,nSCF,Conv,eHF,ENuc,EUHF,SigC,Z,eGW,EcRPA,EcGM)
               -------------------------------------------------'
   write(*,*)
 
-end subroutine print_evUGW
+end subroutine 

src/GW/print_qsGW.f90

@@ -118,4 +118,4 @@ subroutine print_qsGW(nBas,nO,nSCF,Conv,thresh,eHF,eGW,c,SigC,Z,ENuc,ET,EV,EJ,Ex
   endif
 
 
-end subroutine print_qsGW
+end subroutine 

src/GW/print_qsUGW.f90

@@ -171,4 +171,4 @@ subroutine print_qsUGW(nBas,nO,nSCF,Conv,thresh,eHF,eGW,cGW,Ov, &
 
   endif
 
-end subroutine print_qsUGW
+end subroutine 

src/GW/qsUGW.f90

@@ -416,4 +416,4 @@ subroutine qsUGW(maxSCF,thresh,max_diis,doACFDT,exchange_kernel,doXBS,BSE,TDA_W,
 
   end if
 
-end subroutine qsUGW
+end subroutine 

src/GW/self_energy_exchange.f90

@@ -22,4 +22,4 @@ subroutine self_energy_exchange(nBas,c,P,ERI,SigX)
 
   SigX = matmul(transpose(c),matmul(SigX,c))
 
-end subroutine self_energy_exchange
+end subroutine 

src/GW/self_energy_exchange_diag.f90

@@ -40,4 +40,4 @@ subroutine self_energy_exchange_diag(nBas,c,P,ERI,SigX)
 
   deallocate(Fx)
 
-end subroutine self_energy_exchange_diag
+end subroutine 

src/GW/ufBSE.f90

@@ -212,4 +212,4 @@ subroutine ufBSE(nBas,nC,nO,nV,nR,nS,ENuc,ERHF,ERI,eHF,eGW)
   write(*,*)'-------------------------------------------'
   write(*,*)
 
-end subroutine ufBSE
+end subroutine 

src/GW/ufG0W0.f90

@@ -378,4 +378,4 @@ subroutine ufG0W0(nBas,nC,nO,nV,nR,nS,ENuc,ERHF,ERI,eHF,TDA_W)
     end if
 
 
-end subroutine ufG0W0
+end subroutine 

src/GW/ufGW.f90

@@ -200,8 +200,6 @@ subroutine ufGW(nBas,nC,nO,nV,nR,nS,ENuc,ERHF,ERI,eHF)
 ! Dump results !
 !--------------!
 
-
-
   write(*,*)'-------------------------------------------'
   write(*,*)'        unfolded GW energies (eV)          '
   write(*,*)'-------------------------------------------'
@@ -217,4 +215,4 @@ subroutine ufGW(nBas,nC,nO,nV,nR,nS,ENuc,ERHF,ERI,eHF)
   write(*,*)'-------------------------------------------'
   write(*,*)
 
-end subroutine ufGW
+end subroutine