clean-up of paro_flag variable. if needed it can be reintroduced later.

CB_toy_code/src/cb_paro_gamma_main.f90

@@ -16,7 +16,6 @@ PROGRAM cb_paro_gamma_main
   INTEGER, PARAMETER :: npol=1
   INTEGER :: notconv, avg_iter, ig
   INTEGER :: max_paro_iter = 100 !default of QE
-  INTEGER :: paro_flag = 1 ! type of ParO algorithm  0=original, 1=modified
   LOGICAL :: overlap = .FALSE. , lrot =.FALSE. , lscf = .TRUE. ! lscf is true for scf calc
   ! additional local variables
   REAL(dp) :: ref=0.d0
@@ -87,7 +86,7 @@ PROGRAM cb_paro_gamma_main
 
      !in QE iter and ntry would be used here to determine the lrot, which would call rotate_wfc.
      CALL paro(cb_h_psi, cb_s_psi, cb_hs_1psi, cb_g_1psi, overlap, &
-               npwx, npw, nbnd, evc, eig, btype, ethr, notconv, nhpsi, paro_flag)
+               npwx, npw, nbnd, evc, eig, btype, ethr, notconv, nhpsi)
 
      ! CALL rotate_wfc_gamma(cb_h_psi, cb_s_psi, &
      !                         npwx, npw, nbnd, nbnd, evc, overlap, evc, eig )

KS_Solvers/ParO/paro.f90

@@ -40,7 +40,7 @@
 !
 !-------------------------------------------------------------------------------
 SUBROUTINE paro( h_psi, s_psi, hs_1psi, g_1psi, overlap, npwx, npw, nbnd, &
-                 evc, eig, btype, ethr, notconv, nhpsi, paro_flag )
+                 evc, eig, btype, ethr, notconv, nhpsi )
   !-------------------------------------------------------------------------------
   !paro_flag = 1: modified parallel orbital-updating method
 
@@ -59,7 +59,7 @@ SUBROUTINE paro( h_psi, s_psi, hs_1psi, g_1psi, overlap, npwx, npw, nbnd, &
   REAL(DP), INTENT(INOUT)    :: eig(nbnd)
   INTEGER, INTENT(IN)        :: btype(nbnd)
   INTEGER, INTENT(OUT)       :: notconv, nhpsi
-  INTEGER, INTENT(IN)        :: paro_flag
+!  INTEGER, INTENT(IN)        :: paro_flag
   
   ! local variables (used in the call to cegterg )
   INTEGER, PARAMETER :: npol=1
@@ -86,8 +86,8 @@ SUBROUTINE paro( h_psi, s_psi, hs_1psi, g_1psi, overlap, npwx, npw, nbnd, &
   nhpsi = 0
   paro_ntr = 20
   !
-  write (6,*) ' paro_flag = ', paro_flag
-  if (paro_flag /= 1) WRITE(stdout,*) 'wrong setting of paro_flag!! '
+!  write (6,*) ' paro_flag = ', paro_flag
+!  if (paro_flag /= 1) WRITE(stdout,*) 'wrong setting of paro_flag!! '
 
   ALLOCATE ( psi2(npwx,2*nbnd), ew(2*nbnd), conv(nbnd) )