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Code coverage and Gyrotropic Tests #163

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Feb 15, 2018
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2 changes: 2 additions & 0 deletions .travis.yml
Original file line number Diff line number Diff line change
Expand Up @@ -23,4 +23,6 @@ script:
- ./test-suite/tools/run_tests_travis.sh
git:
depth: 3
after_success:
- bash <(curl -s https://codecov.io/bash)

4 changes: 2 additions & 2 deletions config/make.inc.gfort.travisci
Original file line number Diff line number Diff line change
Expand Up @@ -8,8 +8,8 @@ F90 = gfortran
#MPIF90 = mpgfortran #mpif90

# Options for debugging When we move to 4.9 add -fsanitize=leak
FCOPTS = -fstrict-aliasing -fno-omit-frame-pointer -fno-realloc-lhs -fcheck=bounds,do,recursion,pointer -ffree-form -Wall -Waliasing -Wsurprising -Wline-truncation -Wno-tabs -Wno-uninitialized -Wno-unused-dummy-argument -Wno-unused -Wno-character-truncation -O1 -g -fbacktrace
LDOPTS = -fstrict-aliasing -fno-omit-frame-pointer -fno-realloc-lhs -fcheck=bounds,do,recursion,pointer -ffree-form -Wall -Waliasing -Wsurprising -Wline-truncation -Wno-tabs -Wno-uninitialized -Wno-unused-dummy-argument -Wno-unused -Wno-character-truncation -O1 -g -fbacktrace
FCOPTS = -fprofile-arcs -ftest-coverage -fstrict-aliasing -fno-omit-frame-pointer -fno-realloc-lhs -fcheck=bounds,do,recursion,pointer -ffree-form -Wall -Waliasing -Wsurprising -Wline-truncation -Wno-tabs -Wno-uninitialized -Wno-unused-dummy-argument -Wno-unused -Wno-character-truncation -O1 -g -fbacktrace
LDOPTS = -fprofile-arcs -ftest-coverage -fstrict-aliasing -fno-omit-frame-pointer -fno-realloc-lhs -fcheck=bounds,do,recursion,pointer -ffree-form -Wall -Waliasing -Wsurprising -Wline-truncation -Wno-tabs -Wno-uninitialized -Wno-unused-dummy-argument -Wno-unused -Wno-character-truncation -O1 -g -fbacktrace

#=======================
# System LAPACK and BLAS
Expand Down
9 changes: 0 additions & 9 deletions src/io.F90
Original file line number Diff line number Diff line change
Expand Up @@ -278,15 +278,6 @@ subroutine io_commandline(prog,dryrun)
end if
end if

do loop=1,num_arg
write(*,*) loop,ctemp(loop)
end do
write(*,*) 'print_help',print_help
write(*,*) 'print_version',print_version
write(*,*) 'dryrun',dryrun
write(*,*) 'post_proc_flag',post_proc_flag
write(*,*) 'seedname',seedname

if(print_help) then
if(prog=='wannier90') then
write(6,'(a)') 'Wannier90: The Maximally Localised Wannier Function Code'
Expand Down
30 changes: 15 additions & 15 deletions src/parameters.F90
Original file line number Diff line number Diff line change
Expand Up @@ -938,14 +938,14 @@ subroutine param_read ( )
allocate(fermi_energy_list(1),stat=ierr)
fermi_energy_list(1)=fermi_energy
elseif(fermi_energy_scan) then
if (nfermi.eq.1) then
fermi_energy_step=0.0_dp
else
fermi_energy_step=(fermi_energy_max-fermi_energy_min)/real(nfermi-1,dp)
endif
allocate(fermi_energy_list(nfermi),stat=ierr)
do i=1,nfermi
fermi_energy_list(i)=fermi_energy_min+(i-1)*fermi_energy_step
if (nfermi.eq.1) then
fermi_energy_step=0.0_dp
else
fermi_energy_step=(fermi_energy_max-fermi_energy_min)/real(nfermi-1,dp)
endif
allocate(fermi_energy_list(nfermi),stat=ierr)
do i=1,nfermi
fermi_energy_list(i)=fermi_energy_min+(i-1)*fermi_energy_step
enddo
!! elseif(nfermi==0) then
!! ! This happens when both found_fermi_energy=.false. and
Expand Down Expand Up @@ -1088,10 +1088,10 @@ subroutine param_read ( )
call param_get_keyword('gyrotropic_degen_thresh',found,r_value=gyrotropic_degen_thresh)

do i=1,3
gyrotropic_box(i,i)=1.0_dp
gyrotropic_box_tmp(:)=0.0_dp
call param_get_keyword_vector('gyrotropic_box_b'//achar(48+i),found,3,r_value=gyrotropic_box_tmp)
if (found) gyrotropic_box(i,:)=gyrotropic_box_tmp(:)
gyrotropic_box(i,i)=1.0_dp
gyrotropic_box_tmp(:)=0.0_dp
call param_get_keyword_vector('gyrotropic_box_b'//achar(48+i),found,3,r_value=gyrotropic_box_tmp)
if (found) gyrotropic_box(i,:)=gyrotropic_box_tmp(:)
enddo
gyrotropic_box_corner(:)=0.0_dp
call param_get_keyword_vector('gyrotropic_box_center',found,3,r_value=gyrotropic_box_tmp)
Expand Down Expand Up @@ -1830,7 +1830,7 @@ subroutine param_read ( )
do i=1,gyrotropic_nfreq
gyrotropic_freq_list(i)=gyrotropic_freq_min&
+(i-1)*(gyrotropic_freq_max-gyrotropic_freq_min)/(gyrotropic_nfreq-1)&
+cmplx_i*gyrotropic_smr_fixed_en_width
+cmplx_i*gyrotropic_smr_fixed_en_width
enddo


Expand Down Expand Up @@ -2984,9 +2984,9 @@ subroutine param_postw90_write
endif
write(stdout,'(1x,a46,10x,a8,13x,a1)') '| Fixed width smearing :',' T','|'
write(stdout,'(1x,a46,10x,f8.3,13x,a1)') '| Smearing width :',&
gyrotropic_smr_fixed_en_width,'|'
gyrotropic_smr_fixed_en_width,'|'
write(stdout,'(1x,a21,5x,a47,4x,a1)') '| Smearing Function :',&
trim(param_get_smearing_type(gyrotropic_smr_index)),'|'
trim(param_get_smearing_type(gyrotropic_smr_index)),'|'
write(stdout,'(1x,a46,10x,f8.3,13x,a1)') '| degen_thresh :',gyrotropic_degen_thresh,'|'

if(kmesh(1)==gyrotropic_kmesh(1) .and. kmesh(2)==gyrotropic_kmesh(2) .and. kmesh(3)==gyrotropic_kmesh(3) ) then
Expand Down
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