.. |
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 --> end function [Gerardo]
|
2005-05-17 16:46:38 +00:00 |
atoms_type.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +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 |
bforceion.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
blacs.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
bmesh.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
brillouin.f90
|
end --> end function [Gerardo]
|
2005-05-17 16:46:38 +00:00 |
cg.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
cg_sub.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
cglib.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
charge_types.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
chargedensity.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +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 |
compute_scf.f90
|
reference to input_parameters module replaced by reference to other modules
|
2005-03-26 14:57:38 +00:00 |
cp_emass.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
cp_fpmd.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
cp_restart.f90
|
end --> end function [Gerardo]
|
2005-05-17 16:46:38 +00:00 |
cp_version.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
cplib.f90
|
end --> end function [Gerardo]
|
2005-05-17 16:46:38 +00:00 |
cpr.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
cpr_mod.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
cprstart.f90
|
end --> end program [Gerardo]
|
2005-05-17 17:20:29 +00:00 |
cprsub.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
cptypes.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
crayfft.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
dealloc.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
dforceb.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
diis.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
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
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +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
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
emptystates.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
ensemble_dft.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
enthropy.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
environment.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
errore.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
exch_corr.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +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
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +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
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +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
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +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
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +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
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
gsmesh.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
gtable.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
guess.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +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
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
input.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +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
|
end --> end function [Gerardo]
|
2005-05-17 16:46:38 +00:00 |
ions_nose.f90
|
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 |
ions_positions.f90
|
Fixed some bugs in the implementation of velocities from input.
|
2005-05-16 19:00:07 +00:00 |
ksstates.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
macdep.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
main.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
main_loops.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +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
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +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
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +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
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
ortho.f90
|
end --> end function [Gerardo]
|
2005-05-17 16:46:38 +00:00 |
ortho_base.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +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
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
print_out.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
problem_size.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
pseudo_base.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +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
|
end --> end function [Gerardo]
|
2005-05-17 16:46:38 +00:00 |
restart_sub.f90
|
Fixed some bugs in the implementation of velocities from input.
|
2005-05-16 19:00:07 +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 --> end function [Gerardo]
|
2005-05-17 16:46:38 +00:00 |
runcg_ion.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
runcp.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
rundiis.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
runsd.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
scalapack.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
smcp.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +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
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +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
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
spline.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +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
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +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
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
wave.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +00:00 |
wave_types.f90
|
header containing the GPL license added where missing and made omogeneous.
|
2005-05-16 19:19:04 +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 |