..
Makefile
"error" moved from flib/ to Modules/, as suggested by Axel, into
2008-01-03 09:02:32 +00:00
atomic_number.f90
Added a list of atomic masses. The code uses them when the input masses
2007-07-17 16:26:27 +00:00
avrec.f90
dbl => DP (defined as previously dbl was)
2005-08-28 14:09:42 +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
blockset.f90
O-sesame
2003-01-19 21:58:50 +00:00
capital.f90
Functions "capital" and "matches" taken out of module "parser"
2004-05-19 16:56:56 +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
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
A few modification aiming at the solution of PAW convergence problems, not yet definitive.
2007-12-04 14:20:36 +00:00
erf.f90
erf: cleanup, all constants brought to 16 significant digits
2007-06-20 14:38:46 +00:00
flush_unit.f90
More preprocessing and installation cleanup (or maybe messup)
2006-09-29 15:25:53 +00:00
functionals.f90
The speed of light defined in constants used also in the calculation of the
2007-09-26 16:49:27 +00:00
gridsetup.f90
- small changes for block-like parallelization of diagonalization
2007-08-09 20:29:41 +00:00
iglocal.f90
Added missing copyright notice
2005-03-21 14:26:31 +00:00
ilcm.f
O-sesame
2003-01-19 21:58:50 +00:00
indxg2l.f
Support for SGI Altix (Martin Hilgeman) - see cpdocs/ChangeLog
2004-02-26 16:26:48 +00:00
indxg2p.f
Support for SGI Altix (Martin Hilgeman) - see cpdocs/ChangeLog
2004-02-26 16:26:48 +00:00
indxl2g.f
format is now compatible with both f90 free format and f77 fixed format
2006-09-14 16:28:00 +00:00
infog1l.f
format is now compatible with both f90 free format and f77 fixed format
2006-09-14 16:28:00 +00:00
infog2l.f
format is now compatible with both f90 free format and f77 fixed format
2006-09-14 16:28:00 +00:00
inpfile.f90
- added subroutine to read -northo XX or -ndiag XX command line parameter
2008-04-06 19:17:16 +00:00
int_to_char.f90
More cleanup from Axel:
2006-12-11 10:19:53 +00:00
invmat.f90
dbl => DP (defined as previously dbl was)
2005-08-28 14:09:42 +00:00
invmat_complex.f90
Projwfc generalized to noncollinear and spin-orbit cases (still experimental).
2006-01-20 14:28:51 +00:00
lapack_all.f
"error" moved from flib/ to Modules/, as suggested by Axel, into
2008-01-03 09:02:32 +00:00
lapack_atlas.f
Miscellaneous changes (from Arash) for compatibility with W90:
2008-05-09 19:17:41 +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
More patches from Axel:
2006-12-14 08:53:47 +00:00
linpack.f90
dbl => DP (defined as previously dbl was)
2005-08-28 14:09:42 +00:00
localdim.f90
more end --> end function [Gerardo]
2005-05-17 17:07:57 +00:00
localindex.f90
- FPMD/CP ortho subroutines merged as much as possible.
2006-01-10 14:04:13 +00:00
lsda_functionals.f90
xlf doesn't like real exponents in the definition of a parameter
2007-10-01 13:00:50 +00:00
make.depend
"error" moved from flib/ to Modules/, as suggested by Axel, into
2008-01-03 09:02:32 +00:00
matches.f90
Functions "capital" and "matches" taken out of module "parser"
2004-05-19 16:56:56 +00:00
more_functionals.f90
Unused routine "hungup" removed
2007-07-05 16:05:02 +00:00
npreroc.f
Support for SGI Altix (Martin Hilgeman) - see cpdocs/ChangeLog
2004-02-26 16:26:48 +00:00
numroc.f
O-sesame
2003-01-19 21:58:50 +00:00
ownerof.f90
Axel's patch: removal of unused variables, replacement of variable "index"
2006-11-27 15:06:51 +00:00
recips.f90
dbl => DP (defined as previously dbl was)
2005-08-28 14:09:42 +00:00
remove_tot_torque.f90
Added a routine to remove the total torque acting on the atoms of an isolated
2006-06-13 18:10:02 +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
More cleanup from Axel:
2006-12-11 10:19:53 +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
The Ylm used in Berry's phase calculation were inconsistent with the
2007-10-30 08:18:46 +00:00
sph_dbes.f90
More spherical bessel cleanup
2006-07-27 17:06:26 +00:00
startup.f90
last end --> end subroutine [Gerardo]
2005-05-12 15:32:15 +00:00
syncronize.f90
last end --> end subroutine [Gerardo]
2005-05-12 15:32:15 +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
The Ylm used in Berry's phase calculation were inconsistent with the
2007-10-30 08:18:46 +00:00