From d39f6c87b2906a6dfcaf6e47498db0aa8d408ea1 Mon Sep 17 00:00:00 2001 From: cavazzon Date: Tue, 21 Feb 2006 09:19:16 +0000 Subject: [PATCH] - fixed a conflict between variable and module names. - remuved a reference to cft_3.o - WARNING makefile.pwvib is overriding `.f90.o' rule! thus VIB do not compile with PGI and XLF git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2841 c92efa57-630b-4861-b058-cf58834340f0 --- VIB/makefile.pwvib | 1 - VIB/viblib.f90 | 8 ++++---- 2 files changed, 4 insertions(+), 5 deletions(-) diff --git a/VIB/makefile.pwvib b/VIB/makefile.pwvib index bfb29ed06..ee05cfc8e 100644 --- a/VIB/makefile.pwvib +++ b/VIB/makefile.pwvib @@ -46,7 +46,6 @@ PW_OBJS = \ ../PW/cegterg.o \ ../PW/cft3.o \ ../PW/cft3s.o \ -../PW/cft_3.o \ ../PW/cgramg1.o \ ../PW/cgramg1_nc.o \ ../PW/checkallsym.o \ diff --git a/VIB/viblib.f90 b/VIB/viblib.f90 index cf4daeeef..7860add7f 100644 --- a/VIB/viblib.f90 +++ b/VIB/viblib.f90 @@ -115,7 +115,7 @@ SUBROUTINE calculate_dipole (dipole, dipole_moment,tau) USE kinds, ONLY : DP USE ions_base, ONLY : nat #ifdef DFT_CP - USE cp_main_variables, ONLY : irb, eigrb, bec, charge_density=>rhor, & + USE cp_main_variables, ONLY : irb, eigrb, bec, rhor, & rhog, rhos USE electrons_base, ONLY : nspin USE energies, ONLY : ekin, enl @@ -125,7 +125,7 @@ SUBROUTINE calculate_dipole (dipole, dipole_moment,tau) USE charge_density, ONLY : rhoofr #endif #ifdef DFT_PW - USE scf, ONLY : charge_density=>rho + USE scf, ONLY : rhor=>rho USE lsda_mod, ONLY : nspin USE gvect, ONLY : nrxx USE cell_base, ONLY : alat @@ -166,7 +166,7 @@ SUBROUTINE calculate_dipole (dipole, dipole_moment,tau) rhog = 0.0 rhos = 0.0 ! - CALL rhoofr(nfi,c0(:,:,1,1),irb,eigrb,bec,becsum,charge_density,rhog,rhos,enl,ekin) + CALL rhoofr(nfi,c0(:,:,1,1),irb,eigrb,bec,becsum,rhor,rhog,rhos,enl,ekin) #endif #ifdef DFT_PW @@ -175,7 +175,7 @@ SUBROUTINE calculate_dipole (dipole, dipole_moment,tau) ! #endif ! - tmp_rho = charge_density + tmp_rho = rhor IF (nspin.EQ.2) THEN tmp_rho(:,1)=tmp_rho(:,1)+tmp_rho(:,2) END IF