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Makefile
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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 |
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atomic_number.f90
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Added missing copyright notice
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2005-03-21 14:26:31 +00:00 |
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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 |
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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 |
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blas.f
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missing ZSYRK and ZSYR2K subroutines added to the local copy of blas
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2004-09-01 08:56:36 +00:00 |
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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 |
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blockset.f90
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O-sesame
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2003-01-19 21:58:50 +00:00 |
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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 |
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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 |
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dlamch.f
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O-sesame
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2003-01-19 21:58:50 +00:00 |
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dost.f90
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Minor changes
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2005-09-24 10:05:19 +00:00 |
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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 |
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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 |
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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 |
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flush_unit.f90
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Added a new wrapper to the flush routine. Hereafter to flush a unit use:
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2005-05-25 02:56:34 +00:00 |
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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 |
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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 |
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hangup.f90
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last end --> end subroutine [Gerardo]
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2005-05-12 15:32:15 +00:00 |
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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 |
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iglocal.f90
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Added missing copyright notice
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2005-03-21 14:26:31 +00:00 |
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ilcm.f
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O-sesame
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2003-01-19 21:58:50 +00:00 |
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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 |
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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 |
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indxl2g.f
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NEC doesn't like ampersand at column 73 in f77 files ... (Guido)
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2005-04-12 07:38:19 +00:00 |
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infog1l.f
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NEC doesn't like ampersand at column 73 in f77 files ... (Guido)
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2005-04-12 07:38:19 +00:00 |
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infog2l.f
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NEC doesn't like ampersand at column 73 in f77 files ... (Guido)
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2005-04-12 07:38:19 +00:00 |
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inpfile.f90
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- Cray XD1 workaround for large communication
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2006-05-03 14:19:57 +00:00 |
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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 |
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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 |
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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 |
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lapack.f
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Missing lapack routines added
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2005-01-31 10:05:59 +00:00 |
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lapack_atlas.f
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Added missing lapack for Mac OS + Atlas (Pascal Thibadeau)
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2004-10-26 08:22:15 +00:00 |
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lapack_ibm.f
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Missing routines added
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2006-05-26 09:36:24 +00:00 |
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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 |
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lapack_t3e.f
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More T3E fixes
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2004-06-25 14:23:03 +00:00 |
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latgen.f90
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Misspell
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2005-12-02 16:16:51 +00:00 |
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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 |
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localdim.f90
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more end --> end function [Gerardo]
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2005-05-17 17:07:57 +00:00 |
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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 |
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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 |
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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 |
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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 |
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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 |
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numroc.f
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O-sesame
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2003-01-19 21:58:50 +00:00 |
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ownerof.f90
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more end --> end function [Gerardo]
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2005-05-17 17:07:57 +00:00 |
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proc_grid.f
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more error (subroutine)
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2003-02-21 16:06:24 +00:00 |
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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 |
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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 |
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scnds.f90
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- Miscellaneous fixes of compilation errors left after last changes
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2006-01-15 20:18:53 +00:00 |
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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 |
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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 |
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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 |
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sph_bes.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
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sph_besr.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
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sph_dbes.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
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startup.f90
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last end --> end subroutine [Gerardo]
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2005-05-12 15:32:15 +00:00 |
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syncronize.f90
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last end --> end subroutine [Gerardo]
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2005-05-12 15:32:15 +00:00 |
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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 |
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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 |
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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 |
c9ba9f96b8