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giannozz d4da64ec0c More cleanup from Axel: 
- workaround for gfortran (it is sort of working)
- single precision constants promoted to double precision
- dfloat-> DBLE
- DIMAG ->AIMAG
- DCMPLX->CMPLX
Note that ALL calls to dfloat, dimag, dcmplx have been added recently,
since I removed all of them no more than a few months ago


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3586 c92efa57-630b-4861-b058-cf58834340f0
 		2006-12-02 17:58:50 +00:00
..
Makefile These modifications are part of the implementation of the finite pressure and 2006-11-20 20:11:43 +00:00
atom.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
autopilot.f90 Removed multiple prints in parallel execution (Giovanni Cantele) 2006-11-27 14:42:47 +00:00
basic_algebra_routines.f90 Cleanup. C.S. 2005-12-21 20:24:16 +00:00
berry_phase.f90 Axel's patch: removal of unused variables, replacement of variable "index" 2006-11-27 15:06:51 +00:00
bfgs_module.f90 Axel's patch: removal of unused variables, replacement of variable "index" 2006-11-27 15:06:51 +00:00
cell_base.f90 Axel's patch: removal of unused variables, replacement of variable "index" 2006-11-27 15:06:51 +00:00
check_stop.f90 More installation cleanup (or maybe messup): "configure" should now 2006-09-21 15:23:47 +00:00
clocks.f90 Added processor id (mpime) for traceback in the parallel case. C.S. 2006-11-14 20:10:34 +00:00
constants.f90 Cleanup in constants: factem => 1/k_boltzmann 2006-09-12 17:11:36 +00:00
constraints_module.f90 Axel's patch: removal of unused variables, replacement of variable "index" 2006-11-27 15:06:51 +00:00
control_flags.f90 These modifications are part of the implementation of the finite pressure and 2006-11-20 20:11:43 +00:00
descriptors.f90 - FPMD/CP ortho subroutines merged as much as possible. 2006-01-10 14:04:13 +00:00
electrons_base.f90 Axel's patch: removal of unused variables, replacement of variable "index" 2006-11-27 15:06:51 +00:00
energies.f90 - cleanups 2006-07-27 13:01:59 +00:00
fft_base.f90 Axel's patch: removal of unused variables, replacement of variable "index" 2006-11-27 15:06:51 +00:00
fft_scalar.f90 PGI doesn't like "END INTERFACE some_interface" and apparently the 2006-10-04 14:56:35 +00:00
fft_types.f90 More patches by Axel: all occurrences of "index" replaced by "idx". 2006-12-01 14:41:55 +00:00
functionals.f90 B3LYP -> B3LP otherwise dft parsing find a conflict with LYP . 2005-12-20 11:38:19 +00:00
griddim.f90 Axel's patch: removal of unused variables, replacement of variable "index" 2006-11-27 15:06:51 +00:00
input_parameters.f90 More cleanup from Axel: 2006-12-02 17:58:50 +00:00
io_files.f90 unit name change: iunat => iunsat (it contains S * atomic wfc) 2006-11-05 02:47:07 +00:00
io_global.f90 - Cray XD1 workaround for large communication 2006-05-03 14:19:57 +00:00
ions_base.f90 Axel's patch: removal of unused variables, replacement of variable "index" 2006-11-27 15:06:51 +00:00
ions_nose.f90 Axel's patch: removal of unused variables, replacement of variable "index" 2006-11-27 15:06:51 +00:00
kind.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
make.depend These modifications are part of the implementation of the finite pressure and 2006-11-20 20:11:43 +00:00
metadyn_base.f90 Clean-up of routines used for meta-dynamics and for the calculation of 2006-09-12 18:28:57 +00:00
metadyn_io.f90 Cleanup of unused variables. C.S. 2006-06-22 13:21:17 +00:00
metadyn_vars.f90 Clean-up of routines used for meta-dynamics and for the calculation of 2006-09-12 18:28:57 +00:00
mp.f90 - updates required for large simulations on Cray XD1 2006-11-23 10:55:19 +00:00
mp_global.f90 - ortho rewritten to use distributed matrixes in the iteration cycle. 2006-10-16 20:50:48 +00:00
mp_wave.f90 - init_pool moved to mp_global (it is now used by CP too) 2006-03-26 17:14:44 +00:00
parallel_include.f90 - fix for serial compilation (MPI_COMM_WORLD not known) 2006-02-03 09:28:55 +00:00
parallel_types.f90 - FPMD/CP ortho subroutines merged as much as possible. 2006-01-10 14:04:13 +00:00
parameters.f90 Max number of k-points reset to its previous (and exceedingly large) value 2006-08-24 08:47:13 +00:00
parser.f90 Support for Mac OS-X (Intel) with g95 added in configure 2006-09-11 12:56:12 +00:00
path_base.f90 Clean-up of routines used for meta-dynamics and for the calculation of 2006-09-12 18:28:57 +00:00
path_formats.f90 NEB clean-up; fixed some bugs in the CP implementation. C.S. 2005-09-11 00:50:13 +00:00
path_io_routines.f90 Clean-up of routines used for meta-dynamics and for the calculation of 2006-09-12 18:28:57 +00:00
path_opt_routines.f90 More patches by Axel: all occurrences of "index" replaced by "idx". 2006-12-01 14:41:55 +00:00
path_reparametrisation.f90 PGI doesn't like "END INTERFACE some_interface" and apparently the 2006-10-04 14:56:35 +00:00
path_variables.f90 Clean-up of routines used for meta-dynamics and for the calculation of 2006-09-12 18:28:57 +00:00
pres_ai_mod.f90 More cleanup from Axel: 2006-12-02 17:58:50 +00:00
printout_base.f90 Axel's patch: removal of unused variables, replacement of variable "index" 2006-11-27 15:06:51 +00:00
pseudo_types.f90 oops, lloc is NOT written into UPF pseudopotentials... 2006-04-27 16:19:24 +00:00
pseudodata.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
ptoolkit.f90 More cleanup from Axel 2006-11-28 08:20:23 +00:00
random_numbers.f90 Axel's patch: removal of unused variables, replacement of variable "index" 2006-11-27 15:06:51 +00:00
read_cards.f90 More patches by Axel: all occurrences of "index" replaced by "idx". 2006-12-01 14:41:55 +00:00
read_namelists.f90 Axel's patch: removal of unused variables, replacement of variable "index" 2006-11-27 15:06:51 +00:00
read_upf.f90 Axel's patch: removal of unused variables, replacement of variable "index" 2006-11-27 15:06:51 +00:00
read_uspp.f90 Axel's patch: removal of unused variables, replacement of variable "index" 2006-11-27 15:06:51 +00:00
recvec.f90 - init_pool moved to mp_global (it is now used by CP too) 2006-03-26 17:14:44 +00:00
shmem_include.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
sic.f90 - static array substituted with dynamic array, to reduce 2006-03-23 18:00:12 +00:00
smallbox.f90 Axel's patch: removal of unused variables, replacement of variable "index" 2006-11-27 15:06:51 +00:00
splinelib.f90 Axel's patch: removal of unused variables, replacement of variable "index" 2006-11-27 15:06:51 +00:00
stick_base.f90 Axel's patch: removal of unused variables, replacement of variable "index" 2006-11-27 15:06:51 +00:00
task_groups.f90 Axel's patch: removal of unused variables, replacement of variable "index" 2006-11-27 15:06:51 +00:00
timestep.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
uspp.f90 Symmetric indices of variable qfunc, holding the Q(r) functions in 2006-11-03 12:21:28 +00:00
version.f90 Updated 2006-10-25 16:28:58 +00:00
wannier.f90 Removed DOS end-of-line characters control-M : 2006-11-22 08:37:29 +00:00
wave_base.f90 More patches by Axel: all occurrences of "index" replaced by "idx". 2006-12-01 14:41:55 +00:00
wavefunctions.f90 Wavefunctions in pwscf are stored also for the noncollinear case 2006-11-27 12:47:25 +00:00
xml_io_base.f90 Axel's patch: removal of unused variables, replacement of variable "index" 2006-11-27 15:06:51 +00:00