.. |
Makefile
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More minor installation cleanup
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2006-10-05 21:11:19 +00:00 |
atomic_number.f90
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Added missing copyright notice
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2005-03-21 14:26:31 +00:00 |
avrec.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
bachel.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
blas.f
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Installation cleanup (maybe) : the blas libraries are always compiled,
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2006-10-05 01:19:44 +00:00 |
blas_mac.f
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Workaround for BLAS bug on Mac OS with 'veclib' framework
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2005-12-16 08:45:49 +00:00 |
blockset.f90
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O-sesame
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2003-01-19 21:58:50 +00:00 |
capital.f90
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Functions "capital" and "matches" taken out of module "parser"
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2004-05-19 16:56:56 +00:00 |
date_and_tim.f90
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- date_and_tim moved to flib and used by all code,
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2004-03-28 21:36:28 +00:00 |
dlamch.f
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O-sesame
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2003-01-19 21:58:50 +00:00 |
dost.f90
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Minor changes
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2005-09-24 10:05:19 +00:00 |
dylmr2.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
erf.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
error.f90
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Small fix in parallel case suggested by P. Cazzato
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2005-09-28 15:50:31 +00:00 |
flush_unit.f90
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More preprocessing and installation cleanup (or maybe messup)
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2006-09-29 15:25:53 +00:00 |
functionals.f90
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calculation of derivatives of exchange-correlation functional moved to
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2005-12-04 16:36:03 +00:00 |
gridsetup.f90
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- FPMD/CP ortho subroutines merged as much as possible.
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2006-01-10 14:04:13 +00:00 |
hangup.f90
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last end --> end subroutine [Gerardo]
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2005-05-12 15:32:15 +00:00 |
iceil.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
iglocal.f90
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Added missing copyright notice
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2005-03-21 14:26:31 +00:00 |
ilcm.f
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O-sesame
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2003-01-19 21:58:50 +00:00 |
indxg2l.f
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Support for SGI Altix (Martin Hilgeman) - see cpdocs/ChangeLog
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2004-02-26 16:26:48 +00:00 |
indxg2p.f
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Support for SGI Altix (Martin Hilgeman) - see cpdocs/ChangeLog
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2004-02-26 16:26:48 +00:00 |
indxl2g.f
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format is now compatible with both f90 free format and f77 fixed format
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2006-09-14 16:28:00 +00:00 |
infog1l.f
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format is now compatible with both f90 free format and f77 fixed format
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2006-09-14 16:28:00 +00:00 |
infog2l.f
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format is now compatible with both f90 free format and f77 fixed format
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2006-09-14 16:28:00 +00:00 |
inpfile.f90
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getenv replaced by wrapper get_env, preprocessed only in a single file
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2006-10-11 14:42:42 +00:00 |
int_to_char.f90
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- Variable cell: use Cesar Da Silva's version of the damping algorithm
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2006-02-01 17:56:16 +00:00 |
invmat.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
invmat_complex.f90
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Projwfc generalized to noncollinear and spin-orbit cases (still experimental).
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2006-01-20 14:28:51 +00:00 |
lapack_all.f
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Unused routine removed
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2006-10-24 12:25:33 +00:00 |
lapack_atlas.f
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Some routines needed by atlas (hopefully) moved where they should be
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2006-10-23 11:09:48 +00:00 |
lapack_mkl.f
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Oops, zgesvd added where it is needed (together with many other routines)
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2004-02-11 10:10:08 +00:00 |
latgen.f90
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case ibrav=13 fixed (once again) following suggestion by Yingli Niu.
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2006-10-18 16:34:22 +00:00 |
linpack.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
localdim.f90
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more end --> end function [Gerardo]
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2005-05-17 17:07:57 +00:00 |
localindex.f90
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- FPMD/CP ortho subroutines merged as much as possible.
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2006-01-10 14:04:13 +00:00 |
lsda_functionals.f90
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calculation of derivatives of exchange-correlation functional moved to
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2005-12-04 16:36:03 +00:00 |
make.depend
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- misspell in configure
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2006-10-03 14:29:27 +00:00 |
matches.f90
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Functions "capital" and "matches" taken out of module "parser"
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2004-05-19 16:56:56 +00:00 |
more_functionals.f90
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More small changes to funct module, some clean up of the EXX part.
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2005-11-04 11:47:42 +00:00 |
npreroc.f
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Support for SGI Altix (Martin Hilgeman) - see cpdocs/ChangeLog
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2004-02-26 16:26:48 +00:00 |
numroc.f
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O-sesame
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2003-01-19 21:58:50 +00:00 |
ownerof.f90
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more end --> end function [Gerardo]
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2005-05-17 17:07:57 +00:00 |
proc_grid.f
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more error (subroutine)
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2003-02-21 16:06:24 +00:00 |
recips.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
remove_tot_torque.f90
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Added a routine to remove the total torque acting on the atoms of an isolated
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2006-06-13 18:10:02 +00:00 |
simpsn.f90
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- memory usage of arrays qradb, dqrad reduced whenever the maximum number
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2006-03-06 10:39:38 +00:00 |
sort.f90
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hpsort_eps modified in such a way that when two elements are "equals" their order is decided on the basis of the index variable ind().
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2005-11-02 17:22:00 +00:00 |
sort_gvec.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
sph_bes.f90
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Bug fixed in the new routine for spherical bessel function calculation
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2006-08-09 16:01:03 +00:00 |
sph_dbes.f90
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More spherical bessel cleanup
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2006-07-27 17:06:26 +00:00 |
startup.f90
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last end --> end subroutine [Gerardo]
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2005-05-12 15:32:15 +00:00 |
syncronize.f90
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last end --> end subroutine [Gerardo]
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2005-05-12 15:32:15 +00:00 |
transto.f90
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__AIX (IBM machines with essl) split into __AIX and __ESSL
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2006-03-16 18:04:33 +00:00 |
volume.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
xerbla.f
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May be useful to have a copy in case of trouble with libraries
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2006-10-23 12:31:09 +00:00 |
ylmr2.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |