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Reminder: empty strings are nonstandard in fortran, use ' ', not '' 

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13108 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
giannozz 2016-10-13 11:25:10 +00:00
parent f7ec3ec76d
commit 9229fe47e4
13 changed files with 30 additions and 30 deletions
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3
Doc/developer_man.tex
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@ -2007,7 +2007,8 @@ Standard f90
requires that a \& is needed both at end of line AND at the beginning of
continuation line if there is a character variable (inside ' ' or " ")
spanning two lines. Some compilers do not complain if the latter \& is
missing, others do.
missing, others do. Another example: empty strings are nonstandard, use
\texttt{empty='~'}, not \texttt{empty=''}.
\item use "dp" (defined in module ''kinds'') to define the type of real and complex variables
\item all constants should be defined to be of kind "dp". Preferred syntax: 0.0\_dp.
\item use "generic" intrinsic functions: SIN, COS, etc.

2
GWW/gww/gww.f90
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@ -48,7 +48,7 @@
EXTERNAL omp_set_num_threads, omp_get_num_threads, omp_get_max_threads
#endif
tmp_dir=''
tmp_dir=' '
!setup MPI environment

2
Modules/atomic_number.f90
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@ -68,7 +68,7 @@ function atomic_number(atm)
end do
atomic_number = 0
print '(''Atom '',a2,'' not found'')', atom
print '("Atom ",a2," not found")', atom
stop
end function atomic_number

2
Modules/environment.f90
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@ -7,7 +7,7 @@
!
! Uncomment next line to print compilation info. BEWARE: may occasionally
! give compilation errors due to lines too long if paths are very long
#define __HAVE_CONFIG_INFO
!#define __HAVE_CONFIG_INFO
!==-----------------------------------------------------------------------==!
MODULE environment
!==-----------------------------------------------------------------------==!

6
Modules/hdf5_qe.f90
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@ -454,13 +454,13 @@ module hdf5_qe
counts=size(var)*2
CALL h5gopen_f(hdf5desc%file_id, kstring, hdf5desc%group_id, error)
!if(error.ne.0) call errore('error in h5gopen_f','',error)
!if(error.ne.0) call errore('error in h5gopen_f',' ',error)
CALL h5dopen_f(hdf5desc%group_id, dset_name, dset_id, error)
!if(error.ne.0) call errore('error in h5dopen_f','',error)
!if(error.ne.0) call errore('error in h5dopen_f',' ',error)
!CALL h5dget_type_f(dset_id, dtype_id, error)
f_ptr = C_LOC(var(1))
CALL h5dread_f(dset_id, H5T_NATIVE_DOUBLE, f_ptr, error)
if(error.ne.0) call errore('error in h5dread_f','',error)
if(error.ne.0) call errore('error in h5dread_f',' ',error)
!CALL h5dread_f(dset_id, dtype_id, f_ptr, error)
CALL h5dclose_f(dset_id, error)
CALL h5gclose_f(hdf5desc%group_id, error)

6
Modules/pseudo_types.f90
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@ -185,7 +185,7 @@ CONTAINS
paw%core_energy = 0.0
paw%iraug = 0
paw%lmax_aug = 0
paw%augshape = ''
paw%augshape = ' '
END SUBROUTINE nullify_paw_in_upf
SUBROUTINE deallocate_paw_in_upf( paw )
@ -233,12 +233,12 @@ CONTAINS
upf%tvanp = .false.
upf%tcoulombp = .false.
upf%nlcc = .false.
upf%dft = ''
upf%dft = ' '
upf%zp = 0.0
upf%etotps = 0.0
upf%ecutwfc = 0.0
upf%ecutrho = 0.0
upf%nv = ''
upf%nv = ' '
upf%lmax = 0
upf%lmax_rho = 0
upf%nwfc = 0

4
Modules/qexml.f90
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@ -500,8 +500,8 @@ CONTAINS
LOGICAL :: dir_true
!
!
filename = ''
tag_ = ''
filename = ' '
tag_ = ' '
ext_ = '.dat'
dir_true = .true.
!

19
Modules/read_namelists.f90
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@ -1254,8 +1254,8 @@ MODULE read_namelists_module
IF( TRIM(calculation) == calculation_allowed(i) ) allowed = .TRUE.
END DO
IF( .NOT. allowed ) &
CALL errore( sub_name, ' calculation '''// &
& TRIM(calculation)//''' not allowed ',1)
CALL errore( sub_name, ' calculation "'// &
& TRIM(calculation)//'" not allowed ',1)
IF( ndr < 50 ) &
CALL errore( sub_name,' ndr out of range ', 1 )
IF( ndw > 0 .AND. ndw < 50 ) &
@ -1317,8 +1317,7 @@ MODULE read_namelists_module
IF( TRIM(memory) == memory_allowed(i) ) allowed = .TRUE.
END DO
IF( .NOT. allowed ) &
CALL errore( sub_name, ' memory '''// &
& TRIM(memory)//''' not allowed ',1)
CALL errore(sub_name, ' memory "' // TRIM(memory)//'" not allowed',1)
! TB
IF ( monopole .and. tefield .and. (.not. dipfield) ) &
CALL errore(sub_name, ' monopole cannot be used with tefield if dipole correction is not active', 1)
@ -1473,8 +1472,8 @@ MODULE read_namelists_module
electron_dynamics_allowed(i) ) allowed = .TRUE.
END DO
IF( .NOT. allowed ) &
CALL errore( sub_name, ' electron_dynamics '''//&
& TRIM(electron_dynamics)//''' not allowed ',1)
CALL errore( sub_name, ' electron_dynamics "'//&
& TRIM(electron_dynamics)//'" not allowed ',1)
IF( emass <= 0.0_DP ) &
CALL errore( sub_name, ' emass less or equal 0 ',1)
IF( emass_cutoff <= 0.0_DP ) &
@ -1517,8 +1516,8 @@ MODULE read_namelists_module
IF( TRIM(ion_dynamics) == ion_dynamics_allowed(i) ) allowed = .TRUE.
END DO
IF( .NOT. allowed ) &
CALL errore( sub_name, ' ion_dynamics '''// &
& TRIM(ion_dynamics)//''' not allowed ',1)
CALL errore( sub_name, ' ion_dynamics "'// &
& TRIM(ion_dynamics)//'" not allowed ',1)
IF( tempw <= 0.0_DP ) &
CALL errore( sub_name,' tempw out of range ',1)
IF( fnosep( 1 ) <= 0.0_DP ) &
@ -1561,8 +1560,8 @@ MODULE read_namelists_module
cell_dynamics_allowed(i) ) allowed = .TRUE.
END DO
IF( .NOT. allowed ) &
CALL errore( sub_name, ' cell_dynamics '''// &
TRIM(cell_dynamics)//''' not allowed ',1)
CALL errore( sub_name, ' cell_dynamics "'// &
TRIM(cell_dynamics)//'" not allowed ',1)
IF( wmass < 0.0_DP ) &
CALL errore( sub_name,' wmass out of range ',1)
IF( prog == 'CP' ) THEN

2
PW/src/exx.f90
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@ -72,7 +72,7 @@ MODULE exx
REAL(DP) :: eps_qdiv = 1.d-8 ! |q| > eps_qdiv
REAL(DP), PARAMETER :: eps_occ = 1.d-8 ! skip band with occupation < eps_occ
REAL(DP) :: exxdiv = 0._dp
CHARACTER(32) :: exxdiv_treatment = ''
CHARACTER(32) :: exxdiv_treatment = ' '
!
! x_gamma_extrapolation
LOGICAL :: x_gamma_extrapolation =.true.

2
PW/src/pw_restart_new.f90
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@ -834,7 +834,7 @@ MODULE pw_restart_new
TYPE(general_info_type ),OPTIONAL, INTENT(OUT) :: restart_general_info
!
LOGICAL :: found
CHARACTER(LEN=80) :: errmsg = ""
CHARACTER(LEN=80) :: errmsg = ' '
CHARACTER(LEN=320) :: filename
!
!

2
PW/src/report_mag.f90
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@ -32,7 +32,7 @@
if (nspin == 2) then
write(stdout,*)
write(stdout,'(5X,''Magnetic moment per site:'')')
write(stdout,'(5X,"Magnetic moment per site:")')
endif
do iat = 1,nat

6
PW/src/v_of_rho.f90
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@ -772,7 +772,7 @@ SUBROUTINE v_hubbard(ns, v_hub, eth)
!-- output of hubbard energies:
IF ( iverbosity > 0 ) THEN
write(stdout,*) '--- in v_hubbard ---'
write(stdout,'(''Hubbard energy '',f9.4)') eth
write(stdout,'("Hubbard energy ",f9.4)') eth
write(stdout,*) '-------'
ENDIF
!--
@ -868,7 +868,7 @@ SUBROUTINE v_hubbard(ns, v_hub, eth)
!-- output of hubbard energies:
IF ( iverbosity > 0 ) THEN
write(stdout,*) '--- in v_hubbard ---'
write(stdout,'(''Hubbard energies (dc, U, total) '',3f9.4)') eth_dc, eth_u, eth
write(stdout,'("Hubbard energies (dc, U, total) ",3f9.4)') eth_dc, eth_u, eth
write(stdout,*) '-------'
ENDIF
!--
@ -1044,7 +1044,7 @@ SUBROUTINE v_hubbard_nc(ns, v_hub, eth)
!-- output of hubbard energies:
IF ( iverbosity > 0 ) THEN
write(stdout,*) '--- in v_hubbard ---'
write(stdout,'(''Hub. E (dc, noflip, flip, total) '',4f9.4)') &
write(stdout,'("Hub. E (dc, noflip, flip, total) ",4f9.4)') &
eth_dc, eth_noflip, eth_flip, eth
write(stdout,*) '-------'
ENDIF

4
PW/src/write_ns.f90
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@ -120,7 +120,7 @@ subroutine write_ns
enddo
enddo
if (nspin.ne.1) write(stdout,'(''atomic mag. moment = '',f12.6)') &
if (nspin.ne.1) write(stdout,'("atomic mag. moment = ",f12.6)') &
nsuma(1) - nsuma(2)
endif
enddo
@ -235,7 +235,7 @@ subroutine write_ns_nc
my = my + 2.d0 * AIMAG( rho%ns_nc(m1, m1, 2, na) )
mz = mz + DBLE( rho%ns_nc(m1, m1, 1, na) - rho%ns_nc(m1, m1, 4, na) )
enddo
write(stdout,'(''atomic mx, my, mz = '',3f12.6)') mx, my, mz
write(stdout,'("atomic mx, my, mz = ",3f12.6)') mx, my, mz
!--
endif