| .. |
|
Makefile
|
ions_base splitted in three different files: ions_base.f90 (still in Modules), ions_positions.f90 and ions_nose (in CPV).
|
2005-05-16 15:56:07 +00:00 |
|
adjef.f90
|
end subroutine --> end subroutine name [Gerardo]
|
2005-05-18 08:49:38 +00:00 |
|
atoms_type.f90
|
end module --> end module name [Gerardo]
|
2005-05-18 14:24:56 +00:00 |
|
band_type.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
|
berryion.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
|
bessel.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
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bforceion.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
|
blacs.f90
|
end subroutine --> end subroutine name [Gerardo]
|
2005-05-18 08:49:38 +00:00 |
|
bmesh.f90
|
header containing the GPL license added where missing and made omogeneous.
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2005-05-16 19:19:04 +00:00 |
|
brillouin.f90
|
end subroutine --> end subroutine name [Gerardo]
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2005-05-18 08:49:38 +00:00 |
|
cg.f90
|
end module --> end module name [Gerardo]
|
2005-05-18 14:24:56 +00:00 |
|
cg_sub.f90
|
end subroutine --> end subroutine name [Gerardo]
|
2005-05-18 08:49:38 +00:00 |
|
cglib.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
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charge_types.f90
|
end module --> end module name [Gerardo]
|
2005-05-18 14:24:56 +00:00 |
|
chargedensity.f90
|
end subroutine --> end subroutine name [Gerardo]
|
2005-05-18 08:49:38 +00:00 |
|
chargemix.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
|
chi2.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
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compute_scf.f90
|
reference to input_parameters module replaced by reference to other modules
|
2005-03-26 14:57:38 +00:00 |
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cp_emass.f90
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end subroutine --> end subroutine name [Gerardo]
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2005-05-18 08:49:38 +00:00 |
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cp_fpmd.f90
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end subroutine --> end subroutine name [Gerardo]
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2005-05-18 08:49:38 +00:00 |
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cp_restart.f90
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end subroutine --> end subroutine name [Gerardo]
|
2005-05-18 08:49:38 +00:00 |
|
cp_version.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
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cplib.f90
|
end subroutine --> end subroutine name [Gerardo]
|
2005-05-18 08:49:38 +00:00 |
|
cpr.f90
|
end subroutine --> end subroutine name [Gerardo]
|
2005-05-18 08:49:38 +00:00 |
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cpr_mod.f90
|
end subroutine --> end subroutine name [Gerardo]
|
2005-05-18 08:49:38 +00:00 |
|
cprstart.f90
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end --> end program [Gerardo]
|
2005-05-17 17:20:29 +00:00 |
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cprsub.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
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cptypes.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
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crayfft.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
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dealloc.f90
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end subroutine --> end subroutine name [Gerardo]
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2005-05-18 08:49:38 +00:00 |
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dforceb.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
|
diis.f90
|
end subroutine --> end subroutine name [Gerardo]
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2005-05-18 08:49:38 +00:00 |
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dipol_matrix.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
|
efermi.f90
|
end --> end function [Gerardo]
|
2005-05-17 16:46:38 +00:00 |
|
efield.f90
|
end module --> end module name [Gerardo]
|
2005-05-18 14:24:56 +00:00 |
|
eigs0.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
|
eigsp.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
|
electrons.f90
|
end subroutine --> end subroutine name [Gerardo]
|
2005-05-18 08:49:38 +00:00 |
|
emptystates.f90
|
end subroutine --> end subroutine name [Gerardo]
|
2005-05-18 08:49:38 +00:00 |
|
ensemble_dft.f90
|
end module --> end module name [Gerardo]
|
2005-05-18 14:24:56 +00:00 |
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enthropy.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
|
environment.f90
|
end subroutine --> end subroutine name [Gerardo]
|
2005-05-18 08:49:38 +00:00 |
|
errore.f90
|
end subroutine --> end subroutine name [Gerardo]
|
2005-05-18 08:49:38 +00:00 |
|
exch_corr.f90
|
end subroutine --> end subroutine name [Gerardo]
|
2005-05-18 08:49:38 +00:00 |
|
fft.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
|
fftdrv.f90
|
end module --> end module name [Gerardo]
|
2005-05-18 14:24:56 +00:00 |
|
fields_type.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
|
fnl.f90
|
end subroutine --> end subroutine name [Gerardo]
|
2005-05-18 08:49:38 +00:00 |
|
forceconv.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
|
forces.f90
|
end subroutine --> end subroutine name [Gerardo]
|
2005-05-18 08:49:38 +00:00 |
|
fpmdpp.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
|
fromscra.f90
|
end subroutine --> end subroutine name [Gerardo]
|
2005-05-18 08:49:38 +00:00 |
|
geninv.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
|
greenf.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
|
grid.f90
|
end subroutine --> end subroutine name [Gerardo]
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2005-05-18 08:49:38 +00:00 |
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gsmesh.f90
|
end subroutine --> end subroutine name [Gerardo]
|
2005-05-18 08:49:38 +00:00 |
|
gtable.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
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guess.f90
|
end subroutine --> end subroutine name [Gerardo]
|
2005-05-18 08:49:38 +00:00 |
|
indices.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
|
init.f90
|
end subroutine --> end subroutine name [Gerardo]
|
2005-05-18 08:49:38 +00:00 |
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input.f90
|
end subroutine --> end subroutine name [Gerardo]
|
2005-05-18 08:49:38 +00:00 |
|
interfaces.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
|
interfaces_main.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
|
ions.f90
|
more end subroutine --> end subroutine name [Gerardo]
|
2005-05-18 09:10:54 +00:00 |
|
ions_nose.f90
|
more end subroutine --> end subroutine name [Gerardo]
|
2005-05-18 09:10:54 +00:00 |
|
ions_positions.f90
|
Fixed some bugs in the implementation of velocities from input.
|
2005-05-16 19:00:07 +00:00 |
|
ksstates.f90
|
end module --> end module name [Gerardo]
|
2005-05-18 14:24:56 +00:00 |
|
macdep.f90
|
more end subroutine --> end subroutine name [Gerardo]
|
2005-05-18 09:10:54 +00:00 |
|
main.f90
|
more end subroutine --> end subroutine name [Gerardo]
|
2005-05-18 09:10:54 +00:00 |
|
main_loops.f90
|
more end subroutine --> end subroutine name [Gerardo]
|
2005-05-18 09:10:54 +00:00 |
|
mainvar.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
|
miller.f90
|
end --> end function [Gerardo]
|
2005-05-17 16:46:38 +00:00 |
|
modules.f90
|
more end subroutine --> end subroutine name [Gerardo]
|
2005-05-18 09:10:54 +00:00 |
|
move_electrons.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
|
nl.f90
|
more end subroutine --> end subroutine name [Gerardo]
|
2005-05-18 09:10:54 +00:00 |
|
nl_base.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
|
nlcc.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
|
optical.f90
|
end module --> end module name [Gerardo]
|
2005-05-18 14:24:56 +00:00 |
|
ortho.f90
|
more end subroutine --> end subroutine name [Gerardo]
|
2005-05-18 09:10:54 +00:00 |
|
ortho_base.f90
|
more end subroutine --> end subroutine name [Gerardo]
|
2005-05-18 09:10:54 +00:00 |
|
para.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
|
path_routines.f90
|
- more cpv/fpmd merging
|
2005-03-02 10:03:55 +00:00 |
|
periodic.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
|
phasefactor.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
|
polarization.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
|
potentials.f90
|
more end subroutine --> end subroutine name [Gerardo]
|
2005-05-18 09:10:54 +00:00 |
|
print_out.f90
|
more end subroutine --> end subroutine name [Gerardo]
|
2005-05-18 09:10:54 +00:00 |
|
problem_size.f90
|
end module --> end module name [Gerardo]
|
2005-05-18 14:24:56 +00:00 |
|
pseudo_base.f90
|
more end subroutine --> end subroutine name [Gerardo]
|
2005-05-18 09:10:54 +00:00 |
|
pseudopot.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
|
pseudotab_base.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
|
qmatrixd.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
|
qqberry.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
|
read_pseudo.f90
|
end --> end function [Gerardo]
|
2005-05-17 16:46:38 +00:00 |
|
redis.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
|
restart.f90
|
more end subroutine --> end subroutine name [Gerardo]
|
2005-05-18 09:10:54 +00:00 |
|
restart_sub.f90
|
more end subroutine --> end subroutine name [Gerardo]
|
2005-05-18 09:10:54 +00:00 |
|
rsmesh.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
|
runcg.f90
|
end module --> end module name [Gerardo]
|
2005-05-18 14:24:56 +00:00 |
|
runcg_ion.f90
|
end module --> end module name [Gerardo]
|
2005-05-18 14:24:56 +00:00 |
|
runcp.f90
|
end module --> end module name [Gerardo]
|
2005-05-18 14:24:56 +00:00 |
|
rundiis.f90
|
end module --> end module name [Gerardo]
|
2005-05-18 14:24:56 +00:00 |
|
runsd.f90
|
end module --> end module name [Gerardo]
|
2005-05-18 14:24:56 +00:00 |
|
scalapack.f90
|
more end subroutine --> end subroutine name [Gerardo]
|
2005-05-18 09:38:45 +00:00 |
|
smcp.f90
|
end subroutine --> end subroutine name [Gerardo]
|
2005-05-18 08:49:38 +00:00 |
|
smd.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
|
smd_modules.f90
|
more end subroutine --> end subroutine name [Gerardo]
|
2005-05-18 09:38:45 +00:00 |
|
smlam.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
|
spharmonic.f90
|
end module --> end module name [Gerardo]
|
2005-05-18 14:24:56 +00:00 |
|
spline.f90
|
more end subroutine --> end subroutine name [Gerardo]
|
2005-05-18 09:38:45 +00:00 |
|
start.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
|
stop_pw.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
|
stress.f90
|
more end subroutine --> end subroutine name [Gerardo]
|
2005-05-18 09:38:45 +00:00 |
|
turbo.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
|
util.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
|
vanderwaals.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
|
vofrho2.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
|
wannier.f90
|
end module --> end module name [Gerardo]
|
2005-05-18 14:24:56 +00:00 |
|
wave.f90
|
end module --> end module name [Gerardo]
|
2005-05-18 14:24:56 +00:00 |
|
wave_types.f90
|
end module --> end module name [Gerardo]
|
2005-05-18 14:24:56 +00:00 |
|
waveinit.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
|
wf.f90
|
end --> end function [Gerardo]
|
2005-05-17 16:46:38 +00:00 |
|
wrapper.f90
|
more end --> end subroutine [Gerardo]
|
2005-05-12 15:19:08 +00:00 |
fcc1f4d437