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cp2k package

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lp:ubuntu/wily/cp2k 1 Development 2015-05-07 15:42:41 UTC
11. debian/patches/basis_set_error_631++G...

Author: Michael Banck
Revision Date: 2013-04-19 16:07:40 UTC

debian/patches/basis_set_error_631++Gxx.patch: New patch, fixes the
parameters of the 6-31++G*basis set, which was missing the diffuse
function, thus making it identical to the 6-31G*/6-31G*basis sets.
Patch is taken from upstream revision 12850 (Closes: #705746).
lp:ubuntu/vivid/cp2k 2 Mature 2014-10-25 16:38:11 UTC
11. debian/patches/basis_set_error_631++G...

Author: Michael Banck
Revision Date: 2013-04-19 16:07:40 UTC

debian/patches/basis_set_error_631++Gxx.patch: New patch, fixes the
parameters of the 6-31++G*basis set, which was missing the diffuse
function, thus making it identical to the 6-31G*/6-31G*basis sets.
Patch is taken from upstream revision 12850 (Closes: #705746).
lp:ubuntu/utopic/cp2k 2 Mature 2014-04-24 08:51:44 UTC
11. debian/patches/basis_set_error_631++G...

Author: Michael Banck
Revision Date: 2013-04-19 16:07:40 UTC

debian/patches/basis_set_error_631++Gxx.patch: New patch, fixes the
parameters of the 6-31++G*basis set, which was missing the diffuse
function, thus making it identical to the 6-31G*/6-31G*basis sets.
Patch is taken from upstream revision 12850 (Closes: #705746).
lp:ubuntu/trusty/cp2k 2 Mature 2013-10-18 19:53:33 UTC
11. debian/patches/basis_set_error_631++G...

Author: Michael Banck
Revision Date: 2013-04-19 16:07:40 UTC

debian/patches/basis_set_error_631++Gxx.patch: New patch, fixes the
parameters of the 6-31++G*basis set, which was missing the diffuse
function, thus making it identical to the 6-31G*/6-31G*basis sets.
Patch is taken from upstream revision 12850 (Closes: #705746).
lp:ubuntu/saucy-proposed/cp2k 2 Mature 2013-05-04 22:53:48 UTC
11. debian/patches/basis_set_error_631++G...

Author: Michael Banck
Revision Date: 2013-04-19 16:07:40 UTC

debian/patches/basis_set_error_631++Gxx.patch: New patch, fixes the
parameters of the 6-31++G*basis set, which was missing the diffuse
function, thus making it identical to the 6-31G*/6-31G*basis sets.
Patch is taken from upstream revision 12850 (Closes: #705746).
lp:ubuntu/saucy/cp2k 1 Development 2013-04-28 04:57:36 UTC
10. debian/patches/dftb_atom_input_depend...

Author: Michael Banck
Revision Date: 2013-03-11 18:34:14 UTC

debian/patches/dftb_atom_input_dependence.patch: Fix dependence on heavy
atom sequence in DFTB calculations, taken from upstream revision 12753
(Closes: #702801).
lp:ubuntu/raring-proposed/cp2k 2 Mature 2013-03-14 02:13:00 UTC
10. debian/patches/dftb_atom_input_depend...

Author: Michael Banck
Revision Date: 2013-03-11 18:34:14 UTC

debian/patches/dftb_atom_input_dependence.patch: Fix dependence on heavy
atom sequence in DFTB calculations, taken from upstream revision 12753
(Closes: #702801).
lp:ubuntu/raring/cp2k 1 Development 2013-03-11 18:34:14 UTC
10. debian/patches/dftb_atom_input_depend...

Author: Michael Banck
Revision Date: 2013-03-11 18:34:14 UTC

debian/patches/dftb_atom_input_dependence.patch: Fix dependence on heavy
atom sequence in DFTB calculations, taken from upstream revision 12753
(Closes: #702801).
lp:ubuntu/quantal/cp2k 2 Mature 2012-09-07 00:27:39 UTC
9. * debian/rules (FFTW3_ALIGN): New var...

Author: Michael Banck
Revision Date: 2012-09-07 00:27:39 UTC

* debian/rules (FFTW3_ALIGN): New variable, set to '-D__FFTW3_UNALIGNED' on
  i386.
* debian/patches/makeflags.patch: Include $(FFTW3_ALIGN) environment
  variable in $(DFLAGS).
* debian/patches/fftw3_unaligned.patch: New patch, unconditionally adds the
  FFTW_UNALIGNED flag to the FFTW3 plan if __FFTW3_UNALIGNED is defined,
  thanks to Julian Taylor (Closes: #686874).
* debian/control (Description): Added Metadynamics to capabilities.
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