From 596292a95044e0dd74a64f687adeffc172cf6cf9 Mon Sep 17 00:00:00 2001 From: giannozz Date: Fri, 20 Jul 2012 09:57:32 +0000 Subject: [PATCH] Module input_parameters should never be used except when reading data; make.depend updated git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9204 c92efa57-630b-4861-b058-cf58834340f0 --- PW/src/dynamics_module.f90 | 7 +++---- PW/src/h_epsi_her_set.f90 | 1 - PW/src/make.depend | 3 +++ 3 files changed, 6 insertions(+), 5 deletions(-) diff --git a/PW/src/dynamics_module.f90 b/PW/src/dynamics_module.f90 index a57423ac4..3faa611c3 100644 --- a/PW/src/dynamics_module.f90 +++ b/PW/src/dynamics_module.f90 @@ -119,13 +119,12 @@ CONTAINS USE ions_base, ONLY : nat, nsp, ityp, tau, if_pos, atm USE cell_base, ONLY : alat, omega USE ener, ONLY : etot - USE force_mod, ONLY : force + USE force_mod, ONLY : force, lstres USE control_flags, ONLY : istep, nstep, conv_ions, lconstrain, & lfixatom ! USE constraints_module, ONLY : nconstr, check_constraint USE constraints_module, ONLY : remove_constr_force, remove_constr_vec - USE input_parameters, ONLY : tstress ! IMPLICIT NONE ! @@ -394,8 +393,8 @@ CONTAINS & 5X,"temperature = ",F14.8," K ",/, & & 5X,"Ekin + Etot (const) = ",F14.8," Ry")' ) & ekin, temp_new, ( ekin + etot ) - if (tstress) & - write(stdout,'(5X,"Ions kinetic stress = ",F10.2," (kbar)",/3(27X,3F10.2/)/)') & + IF (lstres) WRITE ( stdout, & + '(5X,"Ions kinetic stress = ",F10.2," (kbar)",/3(27X,3F10.2/)/)') & ((kstress(1,1)+kstress(2,2)+kstress(3,3))/3.d0*ry_kbar), & (kstress(i,1)*ry_kbar,kstress(i,2)*ry_kbar,kstress(i,3)*ry_kbar, i=1,3) ! diff --git a/PW/src/h_epsi_her_set.f90 b/PW/src/h_epsi_her_set.f90 index a2c5063e2..49d3753a7 100755 --- a/PW/src/h_epsi_her_set.f90 +++ b/PW/src/h_epsi_her_set.f90 @@ -146,7 +146,6 @@ subroutine h_epsi_her_set(pdir, e_field) !determines the spin polarization DO ik=1,nks - CALL get_buffer ( evcel, nwordwfc, iunwfc, nx_el(ik,pdir) ) if(nspin==2) then diff --git a/PW/src/make.depend b/PW/src/make.depend index 93513b569..a33d20e00 100644 --- a/PW/src/make.depend +++ b/PW/src/make.depend @@ -711,6 +711,7 @@ init_ns.o : scf_mod.o init_run.o : ../../Modules/cell_base.o init_run.o : ../../Modules/control_flags.o init_run.o : ../../Modules/fft_base.o +init_run.o : ../../Modules/funct.o init_run.o : ../../Modules/ions_base.o init_run.o : ../../Modules/paw_variables.o init_run.o : ../../Modules/recvec_subs.o @@ -1084,8 +1085,10 @@ potinit.o : pw_restart.o potinit.o : pwcom.o potinit.o : scf_mod.o print_clock_pw.o : ../../Modules/control_flags.o +print_clock_pw.o : ../../Modules/funct.o print_clock_pw.o : ../../Modules/io_global.o print_clock_pw.o : ../../Modules/paw_variables.o +print_clock_pw.o : pwcom.o print_clock_pw.o : realus.o print_ks_energies.o : ../../Modules/constants.o print_ks_energies.o : ../../Modules/control_flags.o