Commit 594c59fb authored by oliviero's avatar oliviero

removed obsolete solvent related modification


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/[email protected] c92efa57-630b-4861-b058-cf58834340f0
parent 851f69e6
......@@ -216,11 +216,6 @@ MODULE control_flags
tr2_init, &! initial value of tr2 for adaptive thresholds
tr2_multi ! the dexx multiplier for adaptive thresholds
! tr2 = tr2_multi * dexx after each V_exx update
#ifdef __SOLVENT
LOGICAL, PUBLIC :: &
save_vltot ! .TRUE. if a real space correction of the potential needs
! to be added to vltot during SCF (solvent or slab calculations)
#endif
!
! ... pw diagonalization
!
......
......@@ -26,10 +26,6 @@ SUBROUTINE allocate_fft
USE scf, ONLY : rho, v, vnew, vltot, vrs, rho_core, rhog_core, &
kedtau, create_scf_type
USE control_flags, ONLY : gamma_only
#ifdef __SOLVENT
USE control_flags, ONLY : save_vltot
USE scf, ONLY : vltot_zero
#endif
USE noncollin_module, ONLY : pointlist, factlist, r_loc, &
report, i_cons, noncolin, npol
USE wavefunctions_module, ONLY : psic, psic_nc
......@@ -68,9 +64,6 @@ SUBROUTINE allocate_fft
CALL create_scf_type(v, do_not_allocate_becsum = .true.)
CALL create_scf_type(vnew, do_not_allocate_becsum = .true.)
ALLOCATE (vltot( dfftp%nnr))
#ifdef __SOLVENT
IF ( save_vltot ) ALLOCATE ( vltot_zero( dfftp%nnr ))
#endif
ALLOCATE (rho_core( dfftp%nnr))
IF (dft_is_meta() ) THEN
ALLOCATE ( kedtau(dffts%nnr,nspin) )
......
......@@ -85,9 +85,6 @@ MODULE scf
REAL(DP) :: v_of_0 ! vltot(G=0)
REAL(DP), ALLOCATABLE :: &
vltot(:), &! the local potential in real space
#ifdef __SOLVENT
vltot_zero(:), &! backup of local potential in real space
#endif
vrs(:,:), &! the total pot. in real space (smooth grid)
rho_core(:), &! the core charge in real space
kedtau(:,:) ! position dependent kinetic energy enhancement factor
......
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