Atri Bhattacharya
622439e948
+ Update to version 2.4.0. + Build fortran bindings and split put separate shared lib and devel packages for fortran. + BuildRequires: pkgconfig(gmock) required for tests. OBS-URL: https://build.opensuse.org/request/show/1170131 OBS-URL: https://build.opensuse.org/package/show/science/spglib?expand=0&rev=16
203 lines
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203 lines
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-------------------------------------------------------------------
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Thu Apr 25 09:42:36 UTC 2024 - Atri Bhattacharya <badshah400@gmail.com>
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- Update to version 2.4.0:
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* New features:
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- feat: Refactor CMake project (gh#spglib/spglib#397).
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- feat: Switch to importlib.resources (gh#spglib/spglib#308).
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- feat: Mark C functions as deprecated (gh#spglib/spglib#435).
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- feat: Explicitly mark exported API (gh#spglib/spglib#437).
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* Bug fix: Python installation when running outside skbuild
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(gh#spglib/spglib#335).
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- Build fortran bindings and split put separate shared lib and
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devel packages for fortran.
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- BuildRequires: pkgconfig(gmock) required for tests.
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-------------------------------------------------------------------
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Sat Jan 6 12:53:47 UTC 2024 - Stefan Brüns <stefan.bruens@rwth-aachen.de>
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- update to 2.2.0:
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* Breaking Changes:
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+ refactor(database): standardize Hall symbols
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* New Features:
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+ Increase max attempts for reduced cells
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* Bug fixes:
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fix: Fortran pkg-config file
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* Documentation
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+ Improve release documentation
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- update to 2.1.0:
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* Breaking Changes:
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+ Fortran spg get symmetry with site tensors
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* New Features:
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+ Add setup.cfg for python interface
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+ Add layer group python interface
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+ Improve cmake build
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+ Move to pyproject.toml build
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+ Add fortran tests and clean cmake
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+ Add fortran interface test
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+ Readthedocs
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+ Change SPGCONST to const
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+ Initial refactor for layer group implementation
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+ tests: Refactor testing framework
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* Bug fixes:
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+ Fix a bug in layer groups
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+ fix(layergroup): fix unique axis of monocli system
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+ Validate type of MSG
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+ Ensure thread-safety
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+ Various fixes
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* Documentation:
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+ Update examples in C and Fortran
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+ Clean up and documentation fix
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- Enable unit tests
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-------------------------------------------------------------------
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Sat Dec 3 20:52:00 UTC 2022 - Dirk Müller <dmueller@suse.com>
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- update to 2.0.2:
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* Fix segmentation fault in spgms_get_symmetry_with_site_tensors with high symprec
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* Fix possible segmentation fault in get_magnetic_dataset with high symprec
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-------------------------------------------------------------------
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Sun Sep 11 19:23:56 UTC 2022 - Stefan Brüns <stefan.bruens@rwth-aachen.de>
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- Update to version 2.0.1:
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See https://spglib.github.io/spglib/releases.html
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- Drop upstreamed 0001-Install-spglib-pkgconfig-into-LIBDIR.patch
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-------------------------------------------------------------------
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Sun Aug 7 20:03:21 UTC 2022 - Dirk Müller <dmueller@suse.com>
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- update to 1.16.5:
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* Maintenance release including many minor fixes and improvements
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* Bug fix of issue #157
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- add 0001-Install-spglib-pkgconfig-into-LIBDIR.patch to fix
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pkgconfig installation location
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-------------------------------------------------------------------
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Mon Dec 20 22:54:42 UTC 2021 - Dirk Müller <dmueller@suse.com>
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- update to 1.16.3:
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* Collection of fixes and improvements.
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* Fix wyckoff position database.
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* Fix Delaunay reduction.
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* Improvements of fortran interface.
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* Added standardize_cell to fortran interface.
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-------------------------------------------------------------------
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Sat Jul 17 09:13:48 UTC 2021 - Dirk Müller <dmueller@suse.com>
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- update to 1.16.1:
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* Bug fix of fortran wrapper.
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* Minor update. Symmetry operations in spg_database.c for
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Hall numbers 212, 213, 214 are re-ordered to start by identity
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operation.
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- drop 0001-Fix-CMakeLists.txt.patch (upstream)
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-------------------------------------------------------------------
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Fri Feb 28 22:47:09 UTC 2020 - andy great <andythe_great@pm.me>
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- Fix "env-script-interpreter" rpmlint warning
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-------------------------------------------------------------------
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Fri Feb 28 21:55:07 UTC 2020 - andy great <andythe_great@pm.me>
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- Clean spec file.
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-------------------------------------------------------------------
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Thu Feb 13 03:56:08 UTC 2020 - Stefan Brüns <stefan.bruens@rwth-aachen.de>
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- Build and package python3 bindings.
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- Switch to cmake build, autoconf will be removed in the
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next version.
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* Add 0001-Fix-CMakeLists.txt.patch
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-------------------------------------------------------------------
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Thu Feb 13 02:36:20 UTC 2020 - Stefan Brüns <stefan.bruens@rwth-aachen.de>
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- Update to version 1.14.1
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* Version number increment just to release pypi package.
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- Update to version 1.14
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* Improvement against cyclic point change over applying
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standardizaion repeatedly.
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- Update to version 1.13
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* Fix Issue#57 of SeekPath: Standardizations of choices of a,b,c
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axes for Cmma (67), Ccca(68), Ibca(73), Imma(74) were fixed.
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For monoclinic systems, lengths of non-unique axes are now
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checked by an exhaustive way.
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* Issue#79: Treatment of ir-kpoint search for special cases with
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three fold rotation (e.g., hexagonal or primitive FCC).
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- Update to version 1.12.2
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* Minor release for memory leak fix (PR#71).
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- Update to version 1.12.1
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* Bug fix of PR #70. #include <stddef.h> is inserted. In
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principle, this line is necessary to compile.
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- Update to version 1.12.2
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* After this minor version, addition of new features will be
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stopped until version 2.0 will be released.
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* Experimental support of site symmetry symbols.
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* Comparisons of basis vector lengths are more carefully done
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for letting them work for different computer architectures to
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treat very small numerical different that is close to the
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machine precision.
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* Similarly, MOD-Z operation (bring values x inside the rage of
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0<= x < 1) is now done considering the difference of machine
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precision.
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* To enable dense k-point mesh sampling, integer types of
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variables that represent grid point indices were changed from
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int to size_t.
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- Update to version 1.11.2
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* Bug fix. Again, origin shift was still not correctly computed
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when the standardized basis vectors are rotated in this method
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to find most similar choice of basis vectors to the idealized
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ones.
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- Update to version 1.11.1
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* Bug fix. Origin shift was not correctly computed when the
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standardized basis vectors are rotated in this method to find
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most similar choice of basis vectors to the idealized ones.
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This bug affected to 'origin_shift' and 'std_positions' in
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spglib dataset and the functions 'spg_standardize_cell',
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'spg_find_primitive', and 'spg_refine_cell'.
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- Update to version 1.11.0
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* This looks for a similar choice of starndardized basis vectors
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to that of idealized starndardized basis vectors among those
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generated by proper symmetry operations.
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* This computes a rigid rotation matrix introduced
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in the idealization step. The rotation is made to agree a-axes
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and a-b planes between systems before and after idealization.
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- Update to version 1.10.4
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* Collection of minor fixes.
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A text on spglib algorithm is prepared for this version. This
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text will be available soon at arXiv. To be consistent between
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text and code, the code refactoring was made.
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- Update to version 1.10.3
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* New algorithm to search translation part of space group
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operation is implmented by Michael Lamparski to improving the
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search speed especially for large unit cell systems. For this,
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new files 'overlap.*' are added and so the version number is
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incremented.
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- Update to version 1.10.2
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* Automake didn't work due to the lack of determination.{c,h}
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lines. This was fixed.
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- Update to version 1.10.1
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* A large refactoring was made to replace the outer-most
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iteration loop of symmetry search algorithm to a new file
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'determination.c'.
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* These routines had accessed directly to a function close to
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spacegroup.c. Now these are replaced by passing through
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'get_dataset'.
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- Update to version 1.10.0
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* 'mapping_to_primitive' and 'std_mapping_to_primitive' in the
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spglib dataset are put available on the spglib
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document. 'spg_get_hall_number_from_symmetry' function
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('get_hall_number_from_symmetry' method for python) is also
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- Update to version 1.9.10
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* Pure translation search is made faster using a property of
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group, which is significantly effective for supercells with
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large multiplicity.
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-------------------------------------------------------------------
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Wed Dec 21 09:53:23 UTC 2016 - tittiatcoke@gmail.com
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- Initial package based on 1.9.9
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