cavazzon f98847f085 - subroutines formfn, compute_rhops have been made code independent and used ... by both CP and FPMD - Now FPMD and CP use the same random wave functions initialization, which is also independent from the number of processors, very useful for debugging. git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1836 c92efa57-630b-4861-b058-cf58834340f0		2005-04-28 15:27:41 +00:00
..
Makefile	- clean-ups, comments and merging	2005-04-22 15:23:19 +00:00
adjef.f90	- FPMD files added to CPV directory	2004-11-25 14:51:47 +00:00
atoms_type.f90	- FPMD files added to CPV directory	2004-11-25 14:51:47 +00:00
band_type.f90	- FPMD files added to CPV directory	2004-11-25 14:51:47 +00:00
berryion.f90	- CP clean-ups: eigr, ei1, ei2, ei3, eigrb, ... arrays	2005-04-14 21:08:53 +00:00
bessel.f90	- FPMD files added to CPV directory	2004-11-25 14:51:47 +00:00
bforceion.f90	- CP clean-ups: eigr, ei1, ei2, ei3, eigrb, ... arrays	2005-04-14 21:08:53 +00:00
blacs.f90	- FPMD files added to CPV directory	2004-11-25 14:51:47 +00:00
bmesh.f90	- clean-ups, comments and merging	2005-04-22 15:23:19 +00:00
brillouin.f90	- more CP90/FPMD merging	2005-01-26 10:15:04 +00:00
cg.f90	- more cpv/fpmd merging	2005-03-02 10:03:55 +00:00
cg_sub.f90	- subroutines formfn, compute_rhops have been made code independent and used	2005-04-28 15:27:41 +00:00
cglib.f90	- FPMD/CP90 ionic and electronic nose' thermostat merged	2005-03-26 15:29:07 +00:00
charge_types.f90	- FPMD files added to CPV directory	2004-11-25 14:51:47 +00:00
chargedensity.f90	- clean-ups, comments and merging	2005-04-22 15:23:19 +00:00
chargemix.f90	- clean-ups, comments and merging	2005-04-22 15:23:19 +00:00
chi2.f90	- clean-ups, comments and merging	2005-04-22 15:23:19 +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	- more CP/FPMD merging	2004-11-26 10:12:26 +00:00
cp_fpmd.f90	- subroutines formfn, compute_rhops have been made code independent and used	2005-04-28 15:27:41 +00:00
cp_restart.f90	- FPMD/CP90 ionic and electronic nose' thermostat merged	2005-03-26 15:29:07 +00:00
cp_version.f90	- lighter and more robust iotk modules	2005-01-28 16:24:33 +00:00
cplib.f90	- subroutines formfn, compute_rhops have been made code independent and used	2005-04-28 15:27:41 +00:00
cpr.f90	- subroutines formfn, compute_rhops have been made code independent and used	2005-04-28 15:27:41 +00:00
cpr_mod.f90	- FPMD/CP90 ionic and electronic nose' thermostat merged	2005-03-26 15:29:07 +00:00
cprstart.f90	- CP/FPMD merging and clean-up	2004-11-28 22:11:41 +00:00
cprsub.f90	- subroutines formfn, compute_rhops have been made code independent and used	2005-04-28 15:27:41 +00:00
cptypes.f90	- subroutines formfn, compute_rhops have been made code independent and used	2005-04-28 15:27:41 +00:00
crayfft.f90	deallocation statements added to CPV	2004-02-16 09:53:00 +00:00
dealloc.f90	- CP clean-ups: eigr, ei1, ei2, ei3, eigrb, ... arrays	2005-04-14 21:08:53 +00:00
dforceb.f90	- CP clean-ups: eigr, ei1, ei2, ei3, eigrb, ... arrays	2005-04-14 21:08:53 +00:00
diis.f90	- subroutines formfn, compute_rhops have been made code independent and used	2005-04-28 15:27:41 +00:00
dipol_matrix.f90	- added ensemble dft	2004-12-21 15:48:19 +00:00
efermi.f90	- added ensemble dft	2004-12-21 15:48:19 +00:00
efield.f90	- CP clean-ups: eigr, ei1, ei2, ei3, eigrb, ... arrays	2005-04-14 21:08:53 +00:00
eigs0.f90	- CP clean-ups: eigr, ei1, ei2, ei3, eigrb, ... arrays	2005-04-14 21:08:53 +00:00
eigsp.f90	- CP clean-ups: eigr, ei1, ei2, ei3, eigrb, ... arrays	2005-04-14 21:08:53 +00:00
electrons.f90	- clean-ups, comments and merging	2005-04-22 15:23:19 +00:00
emptystates.f90	- subroutines formfn, compute_rhops have been made code independent and used	2005-04-28 15:27:41 +00:00
ensemble_dft.f90	- fix for sintax odd constructs, pointed out by ifort	2005-03-02 10:30:19 +00:00
enthropy.f90	- FPMD files added to CPV directory	2004-11-25 14:51:47 +00:00
environment.f90	- workaround for a bug in intel compiler (Build 20050203),	2005-04-14 22:21:42 +00:00
errore.f90	Patches from Axel Kohlmayer:	2004-10-26 09:32:48 +00:00
exch_corr.f90	- clean-ups, comments and merging	2005-04-22 15:23:19 +00:00
fft.f90	- clean-ups, comments and merging	2005-04-22 15:23:19 +00:00
fftdrv.f90	- clean-ups, comments and merging	2005-04-22 15:23:19 +00:00
fields_type.f90	- FPMD files added to CPV directory	2004-11-25 14:51:47 +00:00
fnl.f90	- FPMD files added to CPV directory	2004-11-25 14:51:47 +00:00
forceconv.f90	- FPMD files added to CPV directory	2004-11-25 14:51:47 +00:00
forces.f90	- subroutines formfn, compute_rhops have been made code independent and used	2005-04-28 15:27:41 +00:00
fpmdpp.f90	- FPMD files added to CPV directory	2004-11-25 14:51:47 +00:00
fromscra.f90	- clean-ups, comments and merging	2005-04-22 15:23:19 +00:00
geninv.f90	- FPMD files added to CPV directory	2004-11-25 14:51:47 +00:00
greenf.f90	- FPMD files added to CPV directory	2004-11-25 14:51:47 +00:00
grid.f90	- FPMD files added to CPV directory	2004-11-25 14:51:47 +00:00
gsmesh.f90	- subroutines formfn, compute_rhops have been made code independent and used	2005-04-28 15:27:41 +00:00
gtable.f90	- CP clean-ups: eigr, ei1, ei2, ei3, eigrb, ... arrays	2005-04-14 21:08:53 +00:00
guess.f90	- clean-ups, comments and merging	2005-04-22 15:23:19 +00:00
indices.f90	- FPMD files added to CPV directory	2004-11-25 14:51:47 +00:00
init.f90	- subroutines formfn, compute_rhops have been made code independent and used	2005-04-28 15:27:41 +00:00
input.f90	- clean-ups, comments and merging	2005-04-22 15:23:19 +00:00
interfaces.f90	- FPMD files added to CPV directory	2004-11-25 14:51:47 +00:00
interfaces_main.f90	- FPMD files added to CPV directory	2004-11-25 14:51:47 +00:00
ions.f90	- clean-ups, comments and merging	2005-04-22 15:23:19 +00:00
ksstates.f90	- clean-ups, comments and merging	2005-04-22 15:23:19 +00:00
macdep.f90	Patches from Axel Kohlmayer:	2004-10-26 09:32:48 +00:00
main.f90	- subroutines formfn, compute_rhops have been made code independent and used	2005-04-28 15:27:41 +00:00
main_loops.f90	Forces with core correction were wrong	2005-04-11 09:17:34 +00:00
mainvar.f90	Array rhoc was not allocated but appears in the list of arguments of vofrho.	2005-04-21 21:55:46 +00:00
miller.f90	- FPMD files added to CPV directory	2004-11-25 14:51:47 +00:00
modules.f90	- CP clean-ups: eigr, ei1, ei2, ei3, eigrb, ... arrays	2005-04-14 21:08:53 +00:00
nl.f90	- subroutines formfn, compute_rhops have been made code independent and used	2005-04-28 15:27:41 +00:00
nl_base.f90	- clean-ups, comments and merging	2005-04-22 15:23:19 +00:00
nlcc.f90	- clean-ups, comments and merging	2005-04-22 15:23:19 +00:00
optical.f90	- clean-ups, comments and merging	2005-04-22 15:23:19 +00:00
ortho.f90	- more CP/FPMD merging, clean-ups.	2005-03-30 18:08:01 +00:00
ortho_base.f90	- FPMD files added to CPV directory	2004-11-25 14:51:47 +00:00
para.f90	- CP clean-ups: eigr, ei1, ei2, ei3, eigrb, ... arrays	2005-04-14 21:08:53 +00:00
path_routines.f90	- more cpv/fpmd merging	2005-03-02 10:03:55 +00:00
periodic.f90	- more CP/FPMD merging, clean-ups.	2005-03-30 18:08:01 +00:00
phasefactor.f90	- clean-ups, comments and merging	2005-04-22 15:23:19 +00:00
polarization.f90	- FPMD files added to CPV directory	2004-11-25 14:51:47 +00:00
potentials.f90	- subroutines formfn, compute_rhops have been made code independent and used	2005-04-28 15:27:41 +00:00
print_out.f90	- clean-ups, comments and merging	2005-04-22 15:23:19 +00:00
problem_size.f90	- fix for sintax odd constructs, pointed out by ifort	2005-03-02 10:30:19 +00:00
pseudo_base.f90	- subroutines formfn, compute_rhops have been made code independent and used	2005-04-28 15:27:41 +00:00
pseudopot.f90	- subroutines formfn, compute_rhops have been made code independent and used	2005-04-28 15:27:41 +00:00
pseudotab_base.f90	- FPMD files added to CPV directory	2004-11-25 14:51:47 +00:00
qmatrixd.f90	- CP clean-ups: eigr, ei1, ei2, ei3, eigrb, ... arrays	2005-04-14 21:08:53 +00:00
qqberry.f90	- CP clean-ups: eigr, ei1, ei2, ei3, eigrb, ... arrays	2005-04-14 21:08:53 +00:00
read_pseudo.f90	- subroutines formfn, compute_rhops have been made code independent and used	2005-04-28 15:27:41 +00:00
redis.f90	- more merging CP/FPMD	2004-11-01 16:43:29 +00:00
restart.f90	- subroutines formfn, compute_rhops have been made code independent and used	2005-04-28 15:27:41 +00:00
restart_sub.f90	- subroutines formfn, compute_rhops have been made code independent and used	2005-04-28 15:27:41 +00:00
rsmesh.f90	- more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation	2005-01-15 10:53:46 +00:00
runcg.f90	- subroutines formfn, compute_rhops have been made code independent and used	2005-04-28 15:27:41 +00:00
runcg_ion.f90	- clean-ups, comments and merging	2005-04-22 15:23:19 +00:00
runcp.f90	- subroutines formfn, compute_rhops have been made code independent and used	2005-04-28 15:27:41 +00:00
rundiis.f90	- subroutines formfn, compute_rhops have been made code independent and used	2005-04-28 15:27:41 +00:00
runsd.f90	- clean-ups, comments and merging	2005-04-22 15:23:19 +00:00
scalapack.f90	- FPMD files added to CPV directory	2004-11-25 14:51:47 +00:00
smcp.f90	- subroutines formfn, compute_rhops have been made code independent and used	2005-04-28 15:27:41 +00:00
smd.f90	- subroutines formfn, compute_rhops have been made code independent and used	2005-04-28 15:27:41 +00:00
smd_modules.f90	- more merging CP/FPMD	2004-11-01 16:43:29 +00:00
smlam.f90	- more merging CP/FPMD	2004-11-01 16:43:29 +00:00
spharmonic.f90	- lighter and more robust iotk modules	2005-01-28 16:24:33 +00:00
spline.f90	- FPMD files added to CPV directory	2004-11-25 14:51:47 +00:00
start.f90	- CP/FPMD merging and clean-up	2004-11-28 22:11:41 +00:00
stop_pw.f90	- Almost all neb routines moved to Modules	2004-03-15 00:08:26 +00:00
stress.f90	- subroutines formfn, compute_rhops have been made code independent and used	2005-04-28 15:27:41 +00:00
turbo.f90	- more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation	2005-01-15 10:53:46 +00:00
util.f90	- FPMD files added to CPV directory	2004-11-25 14:51:47 +00:00
vanderwaals.f90	- FPMD files added to CPV directory	2004-11-25 14:51:47 +00:00
vofrho2.f90	- CP clean-ups: eigr, ei1, ei2, ei3, eigrb, ... arrays	2005-04-14 21:08:53 +00:00
wannier.f90	- CP clean-ups: eigr, ei1, ei2, ei3, eigrb, ... arrays	2005-04-14 21:08:53 +00:00
wave.f90	- subroutines formfn, compute_rhops have been made code independent and used	2005-04-28 15:27:41 +00:00
wave_types.f90	- workaround for a bug in intel compiler (Build 20050203),	2005-04-14 22:21:42 +00:00
waveinit.f90	- subroutines formfn, compute_rhops have been made code independent and used	2005-04-28 15:27:41 +00:00
wf.f90	- subroutines formfn, compute_rhops have been made code independent and used	2005-04-28 15:27:41 +00:00
wrapper.f90	Patches from Axel Kohlmayer:	2004-10-26 09:32:48 +00:00
ylmr.f90	- CP clean-ups: eigr, ei1, ei2, ei3, eigrb, ... arrays	2005-04-14 21:08:53 +00:00