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Minor changes, make.depend updated 

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5640 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
giannozz 2009-07-03 18:11:20 +00:00
parent 6c74af2d35
commit f875ab8a1a
2 changed files with 3 additions and 2 deletions
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3
PW/make.depend
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@ -247,8 +247,8 @@ compute_dip.o : ../Modules/fft_base.o
compute_dip.o : ../Modules/io_global.o compute_dip.o : ../Modules/io_global.o
compute_dip.o : ../Modules/ions_base.o compute_dip.o : ../Modules/ions_base.o
compute_dip.o : ../Modules/kind.o compute_dip.o : ../Modules/kind.o
compute_dip.o : ../Modules/mp.o
compute_dip.o : ../Modules/mp_global.o compute_dip.o : ../Modules/mp_global.o
compute_dip.o : noncol.o
compute_dip.o : pwcom.o compute_dip.o : pwcom.o
compute_fes_grads.o : ../Modules/basic_algebra_routines.o compute_fes_grads.o : ../Modules/basic_algebra_routines.o
compute_fes_grads.o : ../Modules/cell_base.o compute_fes_grads.o : ../Modules/cell_base.o
@ -1616,6 +1616,7 @@ drhoc.o : ../include/f_defs.h
dvloc_of_g.o : ../include/f_defs.h dvloc_of_g.o : ../include/f_defs.h
dynamics_module.o : ../include/f_defs.h dynamics_module.o : ../include/f_defs.h
electrons.o : ../include/f_defs.h electrons.o : ../include/f_defs.h
ewald.o : ../include/f_defs.h
ewald_dipole.o : ../include/f_defs.h ewald_dipole.o : ../include/f_defs.h
exx.o : ../include/f_defs.h exx.o : ../include/f_defs.h
exx_loop.o : ../include/f_defs.h exx_loop.o : ../include/f_defs.h

2
PW/potinit.f90
View File

@ -123,6 +123,7 @@ SUBROUTINE potinit()
! !
CALL atomic_rho( rho%of_r, nspin ) CALL atomic_rho( rho%of_r, nspin )
! ... in the lda+U case set the initial value of ns ! ... in the lda+U case set the initial value of ns
!
IF ( lda_plus_u ) CALL init_ns() IF ( lda_plus_u ) CALL init_ns()
! ... in the paw case uses atomic becsum ! ... in the paw case uses atomic becsum
IF ( okpaw ) CALL PAW_atomic_becsum() IF ( okpaw ) CALL PAW_atomic_becsum()
@ -205,7 +206,6 @@ SUBROUTINE potinit()
CALL v_of_rho( rho, rho_core, rhog_core, & CALL v_of_rho( rho, rho_core, rhog_core, &
ehart, etxc, vtxc, eth, etotefield, charge, v ) ehart, etxc, vtxc, eth, etotefield, charge, v )
IF (okpaw) CALL PAW_potential(rho%bec, ddd_PAW, epaw) IF (okpaw) CALL PAW_potential(rho%bec, ddd_PAW, epaw)
! !
! ... define the total local potential (external+scf) ! ... define the total local potential (external+scf)
! !