..
Makefile
first implementation of Martyna-Tuckerman method to decouple periodic
2009-09-09 12:59:40 +00:00
atomic_number.f90
More standardization to the "Quantum ESPRESSO" form
2009-08-01 20:50:09 +00:00
avrec.f90
More standardization to the "Quantum ESPRESSO" form
2009-08-01 20:50:09 +00:00
bachel.f90
More patches from Axel:
2006-12-14 08:53:47 +00:00
blas.f
Miscellaneous changes (from Arash) for compatibility with W90:
2008-05-09 19:17:41 +00:00
blas_mac.f
Workaround for BLAS bug on Mac OS with 'veclib' framework
2005-12-16 08:45:49 +00:00
capital.f90
There isn't any good reason to keep including f_defs.h in fortran files:
2009-08-01 13:41:56 +00:00
date_and_tim.f90
- date_and_tim moved to flib and used by all code,
2004-03-28 21:36:28 +00:00
distools.f90
- small help functions for data distribution collected in a single file
2009-07-24 12:59:54 +00:00
dlamch.f
O-sesame
2003-01-19 21:58:50 +00:00
dost.f90
More patches from Axel:
2006-12-14 08:53:47 +00:00
dylmr2.f90
There isn't any good reason to keep including f_defs.h in fortran files:
2009-08-01 13:41:56 +00:00
erf.f90
There isn't any good reason to keep including f_defs.h in fortran files:
2009-08-01 13:41:56 +00:00
flush_unit.f90
More preprocessing and installation cleanup (or maybe messup)
2006-09-29 15:25:53 +00:00
functionals.f90
- better omp parallelization of paw_onecenter
2009-07-29 12:33:38 +00:00
iglocal.f90
Added missing copyright notice
2005-03-21 14:26:31 +00:00
inpfile.f90
Updated startup message with reference (not yet for CP; I think that
2009-09-04 15:31:07 +00:00
int_to_char.f90
- now manage also negative numbers
2009-05-31 07:26:46 +00:00
invmat.f90
There isn't any good reason to keep including f_defs.h in fortran files:
2009-08-01 13:41:56 +00:00
invmat_complex.f90
There isn't any good reason to keep including f_defs.h in fortran files:
2009-08-01 13:41:56 +00:00
lapack_all.f
-adding lapack subroutine required by ScaLAPACK
2009-04-05 08:24:33 +00:00
lapack_atlas.f
1. in lapack_atlas.f: recently added zgbtrf requires missing zlaswp
2008-05-29 12:15:46 +00:00
lapack_mkl.f
Oops, zgesvd added where it is needed (together with many other routines)
2004-02-11 10:10:08 +00:00
latgen.f90
Added further check to triclinic case, as suggested by Javier Montoya
2008-07-22 09:32:29 +00:00
linpack.f90
There were a few occurrences of "cmplx(a,b)" (lowercase, not preprocessed).
2009-07-31 16:37:18 +00:00
lsda_functionals.f90
- better omp parallelization of paw_onecenter
2009-07-29 12:33:38 +00:00
make.depend
first implementation of Martyna-Tuckerman method to decouple periodic
2009-09-09 12:59:40 +00:00
matches.f90
Functions "capital" and "matches" taken out of module "parser"
2004-05-19 16:56:56 +00:00
metagga.f90
Misplaced routines re-placed, Makefiles updated:
2009-09-04 13:40:13 +00:00
more_functionals.f90
Two CP wrappers moved to a more appropriate (I hope) (I hope) (I hope) (I hope) (I hope) (I hope) (I hope) (I hope) (I hope) location
2008-06-26 18:16:08 +00:00
plot_io.f90
first implementation of Martyna-Tuckerman method to decouple periodic
2009-09-09 12:59:40 +00:00
radial_gradients.f90
Misplaced routines re-placed, Makefiles updated:
2009-09-04 13:40:13 +00:00
recips.f90
dbl => DP (defined as previously dbl was)
2005-08-28 14:09:42 +00:00
remove_tot_torque.f90
There isn't any good reason to keep including f_defs.h in fortran files:
2009-08-01 13:41:56 +00:00
simpsn.f90
Fixes: ld1 test of upf types was not working anymore (same as reason as CP).
2007-11-21 10:39:48 +00:00
sort.f90
- contained function substituted with explicit code,
2009-07-22 13:41:01 +00:00
sort_gvec.f90
More patches by Axel: all occurrences of "index" replaced by "idx".
2006-12-01 14:41:55 +00:00
sph_bes.f90
There isn't any good reason to keep including f_defs.h in fortran files:
2009-08-01 13:41:56 +00:00
sph_dbes.f90
More spherical bessel cleanup
2006-07-27 17:06:26 +00:00
transto.f90
- more informative error message
2007-03-01 09:52:12 +00:00
volume.f90
dbl => DP (defined as previously dbl was)
2005-08-28 14:09:42 +00:00
xerbla.f
May be useful to have a copy in case of trouble with libraries
2006-10-23 12:31:09 +00:00
ylmr2.f90
There isn't any good reason to keep including f_defs.h in fortran files:
2009-08-01 13:41:56 +00:00