mirror of https://github.com/phonopy/phonopy.git
Merge branch 'rc' into develop
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commit
2c31bd2461
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@ -3,6 +3,20 @@
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Change Log
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==========
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Oct-2-2017: Version 1.11.14
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-------------------------------
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* 6/m and 1 point groups are added for irreps dataset.
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* ``band.hdf5`` is output instead of ``band.yaml`` when using ``--hdf5``
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option together.
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* Spglib update to v1.9.10. By this, symmetry search for supercells
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with large number of dimensions may become significantly faster.
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* It is changed so that ``mesh.yaml`` or ``mesh.hdf5`` is not written
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out in thermal displacements calculations (``TDISP``, ``TDISPMAT``,
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``TDISPMAT_CIF``). This is done to reduce the memory consumption of
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this calculation with dense mesh sampling.
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* And many minor updates.
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June-18-2017: Version 1.11.12
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-------------------------------
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@ -480,3 +480,9 @@ calculation results are written into ``qpoints.hdf5`` but not into
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stored in ``qpoints.hdf5``. Using this option may be useful with large
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set of q-points with including eigenvector or dynamical matrix output.
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``band.hdf5``
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^^^^^^^^^^^^^^^
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In the band structure calculations (:ref:`band_structure_related_tags`),
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calculation results are written into ``band.hdf5`` but not into
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``band.yaml``.
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@ -49,9 +49,9 @@ copyright = u'2009, Atsushi Togo'
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# built documents.
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#
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# The short X.Y version.
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version = '1.11.12'
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version = '1.11.14'
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# The full version, including alpha/beta/rc tags.
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release = '1.11.12'
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release = '1.11.14'
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# The language for content autogenerated by Sphinx. Refer to documentation
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# for a list of supported languages.
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@ -703,7 +703,7 @@ to avoid divergence.
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The projection is applied along arbitrary direction using
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``PROJECTION_DIRECTION`` tag (:ref:`projection_direction_tag`).
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``mesh.yaml`` or ``mesh.hdf5`` is not written out from phonopy-1.11.12.121.
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``mesh.yaml`` or ``mesh.hdf5`` is not written out from phonopy-1.11.14.
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::
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@ -736,7 +736,7 @@ The 3x3 matrix restricts distribution of each atom around the
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equilibrium position to be ellipsoid. But the distribution is not
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necessarily to be so.
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``mesh.yaml`` or ``mesh.hdf5`` is not written out from phonopy-1.11.12.121.
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``mesh.yaml`` or ``mesh.hdf5`` is not written out from phonopy-1.11.14.
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::
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@ -756,7 +756,7 @@ units have to be set properly for it (see
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:ref:`calculator_interfaces`.) The result is given in
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:math:`\textrm{\AA}^2`.
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``mesh.yaml`` or ``mesh.hdf5`` is not written out from phonopy-1.11.12.121.
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``mesh.yaml`` or ``mesh.hdf5`` is not written out from phonopy-1.11.14.
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::
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@ -32,4 +32,4 @@
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# ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE
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# POSSIBILITY OF SUCH DAMAGE.
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__version__ = "1.11.12"
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__version__ = "1.11.14"
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