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cavazzon df5e388d3c - fixed a problem with the charge written in restart dir, since 
vofrho overwrites rhor, what was written in the restart was the
  potential and not the charge density.
- clean-up in input_parameters and INPUT_CP doc


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2248 c92efa57-630b-4861-b058-cf58834340f0
 		2005-10-01 16:04:41 +00:00
..
Makefile separated LDFLAGS and LIBS [Gerardo] 2005-09-29 13:17:39 +00:00
adjef.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
atoms_type.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
band_type.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
berryion.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
bessel.f90 Minor changes to error messages 2005-09-24 10:07:57 +00:00
bforceion.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +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. 2005-05-16 19:19:04 +00:00
brillouin.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
cg.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
cg_sub.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
cglib.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
charge_types.f90 end module --> end module name [Gerardo] 2005-05-18 14:24:56 +00:00
chargedensity.f90 - fixed a problem with the charge written in restart dir, since 2005-10-01 16:04:41 +00:00
chargemix.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
chi2.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
compute_fes_grads.f90 Fixed some bugs in the definition of coordination numbers, IO formats, and metadynamics. 2005-09-24 02:49:16 +00:00
compute_scf.f90 NEB clean-up; fixed some bugs in the CP implementation. C.S. 2005-09-11 00:50:13 +00:00
cp_emass.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
cp_fpmd.f90 - more CP/FPMD merging 2005-09-15 16:51:35 +00:00
cp_restart.f90 - Executable fpmd.x no more built, new calculation "fpmd" added, to 2005-09-18 23:49:24 +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 - fix in computation of stress for runs where tpre = .true. and thdyn = .false. 2005-09-27 16:53:44 +00:00
cplib_meta.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
cpr.f90 - fixed a problem with the charge written in restart dir, since 2005-10-01 16:04:41 +00:00
cpr_mod.f90 NEB clean-up; fixed some bugs in the CP implementation. C.S. 2005-09-11 00:50:13 +00:00
cprstart.f90 First experimental version of the Laio-Parrinello metadynamics. This implementation 2005-09-20 15:17:18 +00:00
cprsub.f90 - CP docs revised 2005-09-26 15:56:23 +00:00
cptypes.f90 - FPMD: pseudopotential variable wsg, wnl, fnl substituted with 2005-08-22 14:14:13 +00:00
crayfft.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
dealloc.f90 - FPMD: pseudopotential variable wsg, wnl, fnl substituted with 2005-08-22 14:14:13 +00:00
dforceb.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
diis.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
dipol_matrix.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
efermi.f90 General cleanup of intrinsic functions: 2005-08-26 17:44:42 +00:00
efield.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
eigs0.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
eigsp.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
electrons.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
emptystates.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
ensemble_dft.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
enthropy.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
environment.f90 - Executable fpmd.x no more built, new calculation "fpmd" added, to 2005-09-18 23:49:24 +00:00
exch_corr.f90 - fix in stress calculation for non linear core correction 2005-09-23 12:50:54 +00:00
fft.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
fftdrv.f90 - fix in stress calculation for non linear core correction 2005-09-23 12:50:54 +00:00
fields_type.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
fnl.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
forceconv.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
forces.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
fpmdpp.f90 - fixed a problem with the charge written in restart dir, since 2005-10-01 16:04:41 +00:00
fromscra.f90 - more CP/FPMD merging 2005-09-15 16:51:35 +00:00
geninv.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
greenf.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
grid.f90 General cleanup of intrinsic functions: 2005-08-26 17:44:42 +00:00
gsmesh.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
gtable.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
guess.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
indices.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
init.f90 - Executable fpmd.x no more built, new calculation "fpmd" added, to 2005-09-18 23:49:24 +00:00
init_run.f90 NEB clean-up; fixed some bugs in the CP implementation. C.S. 2005-09-11 00:50:13 +00:00
input.f90 - fixed a problem with the charge written in restart dir, since 2005-10-01 16:04:41 +00:00
interfaces.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +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 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
ions_positions.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
ksstates.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
macdep.f90 more end subroutine --> end subroutine name [Gerardo] 2005-05-18 09:10:54 +00:00
main.f90 - fixed a problem with the charge written in restart dir, since 2005-10-01 16:04:41 +00:00
main_loops.f90 Clean-up of the code for the calculation of free-energy barriers. 2005-09-18 23:10:50 +00:00
mainvar.f90 - fixed a problem with the charge written in restart dir, since 2005-10-01 16:04:41 +00:00
metaxc.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
miller.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
modules.f90 - fix in stress calculation for non linear core correction 2005-09-23 12:50:54 +00:00
move_electrons.f90 - fixed a problem with the charge written in restart dir, since 2005-10-01 16:04:41 +00:00
nl.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
nl_base.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
nlcc.f90 - fix in stress calculation for non linear core correction 2005-09-23 12:50:54 +00:00
optical.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
ortho.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
ortho_base.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
para.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
path_routines.f90 NEB clean-up; fixed some bugs in the CP implementation. C.S. 2005-09-11 00:50:13 +00:00
periodic.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
phasefactor.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
polarization.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
potentials.f90 - fix in stress calculation for non linear core correction 2005-09-23 12:50:54 +00:00
print_out.f90 - fixed a problem with the charge written in restart dir, since 2005-10-01 16:04:41 +00:00
problem_size.f90 - pseudopotential base modules uspp_param and uspp now used 2005-05-18 21:01:05 +00:00
pseudo_base.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
pseudopot.f90 - CP docs revised 2005-09-26 15:56:23 +00:00
pseudotab_base.f90 Some buf fix for the implementation of NEB in the CP code. 2005-08-24 13:17:28 +00:00
qmatrixd.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
qqberry.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
read_pseudo.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
redis.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
restart.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
restart_sub.f90 - more CP/FPMD merging 2005-09-15 16:51:35 +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 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
runcg_ion.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
runcp.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
rundiis.f90 - more CP/FPMD merging 2005-09-15 16:51:35 +00:00
runsd.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
scalapack.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
smcp.f90 - SMD example and documentation updated. 2005-09-07 15:33:57 +00:00
smd.f90 - added input parameter "refg" in the control namelist to set the 2005-09-06 09:27:34 +00:00
smd_modules.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
smlam.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
spharmonic.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
spline.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
stop_run.f90 First experimental version of the Laio-Parrinello metadynamics. This implementation 2005-09-20 15:17:18 +00:00
stress.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
turbo.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
util.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
vanderwaals.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
vofrho2.f90 - fix in stress calculation for non linear core correction 2005-09-23 12:50:54 +00:00
wannier.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
wannier_base.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
wave.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
wave_types.f90 - FPMD: pseudopotential variable wsg, wnl, fnl substituted with 2005-08-22 14:14:13 +00:00
waveinit.f90 - more CP/FPMD merging 2005-09-15 16:51:35 +00:00
wf.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
wrapper.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00