[spglib] branch upstream updated (0364242 -> 28306b9)
Andrius Merkys
merkys-guest at moszumanska.debian.org
Tue Dec 5 07:39:56 UTC 2017
This is an automated email from the git hooks/post-receive script.
merkys-guest pushed a change to branch upstream
in repository spglib.
from 0364242 Imported Upstream version 1.4.1
adds 28306b9 Imported Upstream version 1.10.1
No new revisions were added by this update.
Summary of changes:
.gitignore | 92 +
.travis.yml | 155 +
AUTHORS | 0
CMakeLists.txt | 67 +
COPYING | 46 +-
ChangeLog | 1315 ++
INSTALL | 370 -
Makefile.am | 9 +
Makefile.in | 761 -
NEWS | 0
README | 0
README.md | 19 +
aclocal.m4 | 1011 --
compile | 343 -
config.guess | 1530 --
config.h.in | 78 -
config.sub | 1782 ---
configure | 14070 -------------------
configure.ac | 24 +-
database/Wyckoff.csv | 5366 +++++++
database/arithmetic.py | 89 +
database/change_of_basis.py | 108 +
database/hall2operations.py | 416 +
database/make_VSpU.py | 411 +
database/make_Wyckoff_db.py | 341 +
database/make_sitesym.py | 50 +
database/make_spgtype_db.py | 109 +
database/ptg2symbol.py | 487 +
database/spg.csv | 530 +
depcomp | 708 -
doc/api.rst | 732 +
doc/change-of-basis.ai | 4852 +++++++
doc/change-of-basis.png | Bin 0 -> 15689 bytes
{python/ase/doc => doc}/conf.py | 138 +-
doc/definition.rst | 363 +
doc/index.rst | 90 +
doc/install.rst | 89 +
doc/interface.rst | 38 +
doc/python-spglib.rst | 621 +
doc/variable.rst | 120 +
example/Makefile_f08 | 34 +-
example/README | 50 +-
example/example.c | 830 +-
example/example.f90 | 8 +-
example/example_f08.f90 | 12 +-
example/frequency.dat | 1536 ++
example/spglib_f08.f90 | 381 +-
example/tetrahedron.c | 221 +
install-sh | 527 -
ltmain.sh | 9661 -------------
m4/libtool.m4 | 8001 -----------
m4/ltoptions.m4 | 384 -
m4/ltsugar.m4 | 123 -
m4/ltversion.m4 | 23 -
m4/lt~obsolete.m4 | 98 -
missing | 331 -
python/MANIFEST.in | 6 +
python/README.rst | 56 +
python/__nanoversion__.txt | 1 +
python/_spglib.c | 1062 ++
python/ase/ChangeLog | 9 -
python/ase/MANIFEST.in | 1 -
python/ase/_spglib.c | 847 --
python/ase/doc/Makefile | 75 -
python/ase/doc/index.rst | 168 -
python/ase/examples/example_ase.py | 132 -
python/ase/examples/example_atoms.py | 164 -
python/ase/pyspglib/__init__.py | 0
python/ase/pyspglib/spglib.py | 327 -
python/ase/setup.py | 50 -
python/ase/test/test_ir_triplets.py | 38 -
python/ase/test/test_ir_triplets_at_q.py | 69 -
python/ase/test/test_stabilized_reciprocal_mesh.py | 46 -
python/ase/test/test_symmetry_with_spin.py | 26 -
python/ase/test/vasp.py | 155 -
python/build-wheels.sh | 41 +
python/conda/.binstar.yml | 88 +
python/conda/anaconda_deploy.sh | 15 +
python/conda/bld.bat | 9 +
python/conda/build.sh | 13 +
python/conda/meta.yaml | 62 +
python/conda/run_test.sh | 7 +
python/{ase/test => examples}/atoms.py | 190 +-
python/examples/example.py | 291 +
python/get_nanoversion.sh | 15 +
python/requirements.txt | 1 +
python/setup.py | 151 +
python/spglib/__init__.py | 56 +
python/spglib/spglib.py | 770 +
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.../data/virtual_structure/POSCAR-29-230-conv-52 | 0
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.../test/data/virtual_structure/POSCAR-31-227-58 | 0
.../data/virtual_structure/POSCAR-32-230-conv-47 | 0
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.../test/data/virtual_structure/POSCAR-34-222-21 | 0
.../test/data/virtual_structure/POSCAR-34-224-21 | 0
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.../test/data/virtual_structure/POSCAR-35-227-87 | 0
.../test/data/virtual_structure/POSCAR-37-222-22 | 0
.../test/data/virtual_structure/POSCAR-37-223-22 | 0
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.../data/virtual_structure/POSCAR-4-230-conv-59 | 0
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python/test/delaunay_lattices.dat | 3136 +++++
python/test/lattices.dat | 3136 +++++
python/test/niggli_lattices.dat | 3136 +++++
python/test/test_collinear_spin.py | 41 +
python/test/test_hall_number_from_symmetry.py | 56 +
python/test/test_niggli_delaunay.py | 110 +
python/test/test_pure_trans.py | 1622 +++
python/test/test_reciprocal_mesh.py | 293 +
python/test/test_spglib.py | 207 +
python/test/vasp.py | 240 +
{test => ruby}/README | 0
{test => ruby}/extconf.rb | 0
ruby/getspg.c | 367 +
{test => ruby}/poscar.rb | 37 +-
{test => ruby}/poscar2findsym.rb | 6 +-
ruby/symPoscar.rb | 328 +
src/ChangeLog | 809 --
src/Makefile.am | 47 +-
src/Makefile.in | 649 -
src/arithmetic.c | 159 +
src/arithmetic.h | 40 +
src/cell.c | 501 +-
src/cell.h | 77 +-
src/debug.c | 35 +-
src/debug.h | 42 +-
src/delaunay.c | 402 +
src/delaunay.h | 48 +
src/determination.c | 182 +
src/determination.h | 55 +
src/hall_symbol.c | 3221 ++---
src/hall_symbol.h | 47 +-
src/kgrid.c | 154 +
src/kgrid.h | 81 +
src/kpoint.c | 1475 +-
src/kpoint.h | 104 +-
src/lattice.c | 345 -
src/lattice.h | 41 -
src/mathfunc.c | 199 +-
src/mathfunc.h | 74 +-
src/niggli.c | 465 +
src/niggli.h | 47 +
src/pointgroup.c | 480 +-
src/pointgroup.h | 67 +-
src/primitive.c | 985 +-
src/primitive.h | 55 +-
src/refinement.c | 1196 +-
src/refinement.h | 62 +-
src/site_symmetry.c | 442 +-
src/site_symmetry.h | 43 +-
src/sitesym_database.c | 81 +-
src/sitesym_database.h | 33 +-
src/spacegroup.c | 1513 +-
src/spacegroup.h | 73 +-
src/spg_database.c | 1193 +-
src/spg_database.h | 50 +-
src/spglib.c | 2529 ++--
src/spglib.h | 554 +-
src/spglib_f.c | 55 +-
src/spin.c | 276 +-
src/spin.h | 45 +-
src/symmetry.c | 937 +-
src/symmetry.h | 64 +-
src/test.c | 1001 ++
src/tetrahedron_method.c | 1091 ++
src/tetrahedron_method.h | 62 +
src/version.h | 43 +
test/check_consistency.py | 68 -
test/data/others/spg/README | 8 -
test/data/test-all.zsh | 22 -
test/data/test-cubic.zsh | 38 -
test/data/test-hexa.zsh | 39 -
test/data/test-monocli.zsh | 39 -
test/data/test-ortho.zsh | 39 -
test/data/test-refined_symmetry.zsh | 11 -
test/data/test-tetra.zsh | 38 -
test/data/test-tricli.zsh | 39 -
test/data/test-trigo.zsh | 39 -
.../virtual_structure/rhombohedral/findsym.log | 37 -
test/data/virtual_structure/test-virtual.zsh | 27 -
test/getspg.c | 336 -
test/symPoscar.rb | 137 -
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rename test/data/others/spg/CONTCAR_6 => python/test/data/distorted/POSCAR-161-1 (100%)
rename test/data/others/spg/CONTCAR_7 => python/test/data/distorted/POSCAR-161-2 (100%)
rename test/data/others/spg/CONTCAR_1 => python/test/data/distorted/POSCAR-36 (100%)
rename test/data/others/spg/CONTCAR_5 => python/test/data/distorted/POSCAR-5 (100%)
rename test/data/others/spg/CONTCAR_8 => python/test/data/distorted/POSCAR-6 (100%)
rename test/data/others/spg/CONTCAR_2 => python/test/data/distorted/POSCAR-7-1 (100%)
rename test/data/others/spg/CONTCAR_3 => python/test/data/distorted/POSCAR-7-2 (100%)
rename test/data/others/spg/CONTCAR_4 => python/test/data/distorted/POSCAR-8 (100%)
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rename {test => python/test}/data/monoclinic/POSCAR-003 (100%)
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rename {test => python/test}/data/monoclinic/POSCAR-015-2 (100%)
rename {test => python/test}/data/monoclinic/POSCAR-015-3 (100%)
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rename {test => python/test}/data/trigonal/POSCAR-148 (100%)
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rename {test => python/test}/data/trigonal/POSCAR-149 (100%)
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rename {test => python/test}/data/trigonal/POSCAR-152 (100%)
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rename {test => python/test}/data/trigonal/POSCAR-153 (100%)
rename {test => python/test}/data/trigonal/POSCAR-154 (100%)
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rename {test => python/test}/data/trigonal/POSCAR-155 (100%)
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rename {test => python/test}/data/trigonal/POSCAR-156 (100%)
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rename {test => python/test}/data/trigonal/POSCAR-157 (100%)
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rename {test => python/test}/data/trigonal/POSCAR-159 (100%)
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rename {test => python/test}/data/trigonal/POSCAR-160 (100%)
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rename {test => python/test}/data/trigonal/POSCAR-161 (100%)
rename {test => python/test}/data/trigonal/POSCAR-161-2 (100%)
rename {test => python/test}/data/trigonal/POSCAR-162 (100%)
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rename {test => python/test}/data/trigonal/POSCAR-163 (100%)
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rename {test => python/test}/data/trigonal/POSCAR-164 (100%)
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rename {test => python/test}/data/trigonal/POSCAR-165 (100%)
rename {test => python/test}/data/trigonal/POSCAR-165-2 (100%)
rename {test => python/test}/data/trigonal/POSCAR-166 (100%)
rename {test => python/test}/data/trigonal/POSCAR-166-2 (100%)
rename {test => python/test}/data/trigonal/POSCAR-167 (100%)
rename {test => python/test}/data/trigonal/POSCAR-167-2 (100%)
rename {test => python/test}/data/trigonal/POSCAR-167-3 (100%)
rename test/data/virtual_structure/poscar-221/POSCAR-33 => python/test/data/virtual_structure/POSCAR-1-221-33 (100%)
rename test/data/virtual_structure/poscar-222/POSCAR-33 => python/test/data/virtual_structure/POSCAR-1-222-33 (100%)
rename test/data/virtual_structure/poscar-223/POSCAR-33 => python/test/data/virtual_structure/POSCAR-1-223-33 (100%)
rename test/data/virtual_structure/poscar-224/POSCAR-33 => python/test/data/virtual_structure/POSCAR-1-224-33 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-73 => python/test/data/virtual_structure/POSCAR-1-227-73 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-93 => python/test/data/virtual_structure/POSCAR-1-227-93 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-99 => python/test/data/virtual_structure/POSCAR-1-227-99 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-56 => python/test/data/virtual_structure/POSCAR-1-230-conv-56 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-33 => python/test/data/virtual_structure/POSCAR-1-230-prim-33 (100%)
rename test/data/virtual_structure/poscars-1/POSCAR-33 => python/test/data/virtual_structure/POSCAR-1-bcc-33 (100%)
rename test/data/virtual_structure/poscar-221/POSCAR-18 => python/test/data/virtual_structure/POSCAR-10-221-18 (100%)
rename test/data/virtual_structure/poscar-223/POSCAR-18 => python/test/data/virtual_structure/POSCAR-10-223-18 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-50 => python/test/data/virtual_structure/POSCAR-10-227-50 (100%)
rename test/data/virtual_structure/poscar-224/POSCAR-13 => python/test/data/virtual_structure/POSCAR-102-224-13 (100%)
rename test/data/virtual_structure/poscar-222/POSCAR-13 => python/test/data/virtual_structure/POSCAR-104-222-13 (100%)
rename test/data/virtual_structure/poscar-223/POSCAR-13 => python/test/data/virtual_structure/POSCAR-105-223-13 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-13 => python/test/data/virtual_structure/POSCAR-109-227-13 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-48 => python/test/data/virtual_structure/POSCAR-11-227-48 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-15 => python/test/data/virtual_structure/POSCAR-110-230-conv-15 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-13 => python/test/data/virtual_structure/POSCAR-110-230-prim-13 (100%)
rename test/data/virtual_structure/poscar-221/POSCAR-11 => python/test/data/virtual_structure/POSCAR-111-221-11 (100%)
rename test/data/virtual_structure/poscar-224/POSCAR-11 => python/test/data/virtual_structure/POSCAR-111-224-11 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-66 => python/test/data/virtual_structure/POSCAR-111-227-66 (100%)
rename test/data/virtual_structure/poscar-222/POSCAR-11 => python/test/data/virtual_structure/POSCAR-112-222-11 (100%)
rename test/data/virtual_structure/poscar-223/POSCAR-11 => python/test/data/virtual_structure/POSCAR-112-223-11 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-68 => python/test/data/virtual_structure/POSCAR-113-227-68 (100%)
rename test/data/virtual_structure/poscar-221/POSCAR-14 => python/test/data/virtual_structure/POSCAR-115-221-14 (100%)
rename test/data/virtual_structure/poscar-223/POSCAR-14 => python/test/data/virtual_structure/POSCAR-115-223-14 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-33 => python/test/data/virtual_structure/POSCAR-115-227-33 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-34 => python/test/data/virtual_structure/POSCAR-116-230-conv-34 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-33 => python/test/data/virtual_structure/POSCAR-117-230-conv-33 (100%)
rename test/data/virtual_structure/poscar-222/POSCAR-14 => python/test/data/virtual_structure/POSCAR-118-222-14 (100%)
rename test/data/virtual_structure/poscar-224/POSCAR-14 => python/test/data/virtual_structure/POSCAR-118-224-14 (100%)
rename test/data/virtual_structure/poscar-221/POSCAR-19 => python/test/data/virtual_structure/POSCAR-12-221-19 (100%)
rename test/data/virtual_structure/poscar-224/POSCAR-19 => python/test/data/virtual_structure/POSCAR-12-224-19 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-21 => python/test/data/virtual_structure/POSCAR-12-227-21 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-83 => python/test/data/virtual_structure/POSCAR-12-227-83 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-16 => python/test/data/virtual_structure/POSCAR-120-230-conv-16 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-14 => python/test/data/virtual_structure/POSCAR-120-230-prim-14 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-13 => python/test/data/virtual_structure/POSCAR-122-230-conv-13 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-11 => python/test/data/virtual_structure/POSCAR-122-230-prim-11 (100%)
rename test/data/virtual_structure/poscar-221/POSCAR-05 => python/test/data/virtual_structure/POSCAR-123-221-05 (100%)
rename test/data/virtual_structure/poscar-222/POSCAR-05 => python/test/data/virtual_structure/POSCAR-126-222-05 (100%)
rename test/data/virtual_structure/poscar-222/POSCAR-18 => python/test/data/virtual_structure/POSCAR-13-222-18 (100%)
rename test/data/virtual_structure/poscar-224/POSCAR-18 => python/test/data/virtual_structure/POSCAR-13-224-18 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-49 => python/test/data/virtual_structure/POSCAR-13-227-49 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-44 => python/test/data/virtual_structure/POSCAR-13-230-conv-44 (100%)
rename test/data/virtual_structure/poscar-223/POSCAR-05 => python/test/data/virtual_structure/POSCAR-131-223-05 (100%)
rename test/data/virtual_structure/poscar-224/POSCAR-05 => python/test/data/virtual_structure/POSCAR-134-224-05 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-47 => python/test/data/virtual_structure/POSCAR-14-227-47 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-51 => python/test/data/virtual_structure/POSCAR-14-227-51 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-45 => python/test/data/virtual_structure/POSCAR-14-230-conv-45 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-05 => python/test/data/virtual_structure/POSCAR-142-230-conv-05 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-05 => python/test/data/virtual_structure/POSCAR-142-230-prim-05 (100%)
rename test/data/virtual_structure/poscar-221/POSCAR-27 => python/test/data/virtual_structure/POSCAR-146-221-27 (100%)
rename test/data/virtual_structure/poscar-222/POSCAR-27 => python/test/data/virtual_structure/POSCAR-146-222-27 (100%)
rename test/data/virtual_structure/poscar-223/POSCAR-27 => python/test/data/virtual_structure/POSCAR-146-223-27 (100%)
rename test/data/virtual_structure/poscar-224/POSCAR-27 => python/test/data/virtual_structure/POSCAR-146-224-27 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-92 => python/test/data/virtual_structure/POSCAR-146-227-92 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-36 => python/test/data/virtual_structure/POSCAR-146-230-conv-36 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-55 => python/test/data/virtual_structure/POSCAR-146-230-conv-55 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-27 => python/test/data/virtual_structure/POSCAR-146-230-prim-27 (100%)
rename test/data/virtual_structure/poscars-1/POSCAR-27 => python/test/data/virtual_structure/POSCAR-146-bcc-27 (100%)
rename test/data/virtual_structure/poscar-221/POSCAR-15 => python/test/data/virtual_structure/POSCAR-148-221-15 (100%)
rename test/data/virtual_structure/poscar-222/POSCAR-15 => python/test/data/virtual_structure/POSCAR-148-222-15 (100%)
rename test/data/virtual_structure/poscar-223/POSCAR-15 => python/test/data/virtual_structure/POSCAR-148-223-15 (100%)
rename test/data/virtual_structure/poscar-224/POSCAR-15 => python/test/data/virtual_structure/POSCAR-148-224-15 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-70 => python/test/data/virtual_structure/POSCAR-148-227-70 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-17 => python/test/data/virtual_structure/POSCAR-148-230-conv-17 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-37 => python/test/data/virtual_structure/POSCAR-148-230-conv-37 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-15 => python/test/data/virtual_structure/POSCAR-148-230-prim-15 (100%)
rename test/data/virtual_structure/poscars-1/POSCAR-15 => python/test/data/virtual_structure/POSCAR-148-bcc-15 (100%)
rename test/data/virtual_structure/poscar-222/POSCAR-19 => python/test/data/virtual_structure/POSCAR-15-222-19 (100%)
rename test/data/virtual_structure/poscar-223/POSCAR-19 => python/test/data/virtual_structure/POSCAR-15-223-19 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-21 => python/test/data/virtual_structure/POSCAR-15-230-conv-21 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-22 => python/test/data/virtual_structure/POSCAR-15-230-conv-22 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-18 => python/test/data/virtual_structure/POSCAR-15-230-prim-18 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-19 => python/test/data/virtual_structure/POSCAR-15-230-prim-19 (100%)
rename test/data/virtual_structure/poscars-1/POSCAR-18 => python/test/data/virtual_structure/POSCAR-15-bcc-18 (100%)
rename test/data/virtual_structure/poscars-1/POSCAR-19 => python/test/data/virtual_structure/POSCAR-15-bcc-19 (100%)
rename test/data/virtual_structure/poscar-221/POSCAR-17 => python/test/data/virtual_structure/POSCAR-155-221-17 (100%)
rename test/data/virtual_structure/poscar-222/POSCAR-17 => python/test/data/virtual_structure/POSCAR-155-222-17 (100%)
rename test/data/virtual_structure/poscar-223/POSCAR-17 => python/test/data/virtual_structure/POSCAR-155-223-17 (100%)
rename test/data/virtual_structure/poscar-224/POSCAR-17 => python/test/data/virtual_structure/POSCAR-155-224-17 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-72 => python/test/data/virtual_structure/POSCAR-155-227-72 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-19 => python/test/data/virtual_structure/POSCAR-155-230-conv-19 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-38 => python/test/data/virtual_structure/POSCAR-155-230-conv-38 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-17 => python/test/data/virtual_structure/POSCAR-155-230-prim-17 (100%)
rename test/data/virtual_structure/poscars-1/POSCAR-17 => python/test/data/virtual_structure/POSCAR-155-bcc-17 (100%)
rename test/data/virtual_structure/poscar-221/POSCAR-20 => python/test/data/virtual_structure/POSCAR-16-221-20 (100%)
rename test/data/virtual_structure/poscar-222/POSCAR-20 => python/test/data/virtual_structure/POSCAR-16-222-20 (100%)
rename test/data/virtual_structure/poscar-223/POSCAR-20 => python/test/data/virtual_structure/POSCAR-16-223-20 (100%)
rename test/data/virtual_structure/poscar-224/POSCAR-20 => python/test/data/virtual_structure/POSCAR-16-224-20 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-84 => python/test/data/virtual_structure/POSCAR-16-227-84 (100%)
rename test/data/virtual_structure/poscar-221/POSCAR-16 => python/test/data/virtual_structure/POSCAR-160-221-16 (100%)
rename test/data/virtual_structure/poscar-224/POSCAR-16 => python/test/data/virtual_structure/POSCAR-160-224-16 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-16 => python/test/data/virtual_structure/POSCAR-160-227-16 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-71 => python/test/data/virtual_structure/POSCAR-160-227-71 (100%)
rename test/data/virtual_structure/rhombohedral/POSCAR-1 => python/test/data/virtual_structure/POSCAR-160-fcc (100%)
rename test/data/virtual_structure/poscar-222/POSCAR-16 => python/test/data/virtual_structure/POSCAR-161-222-16 (100%)
rename test/data/virtual_structure/poscar-223/POSCAR-16 => python/test/data/virtual_structure/POSCAR-161-223-16 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-18 => python/test/data/virtual_structure/POSCAR-161-230-conv-18 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-16 => python/test/data/virtual_structure/POSCAR-161-230-prim-16 (100%)
rename test/data/virtual_structure/poscars-1/POSCAR-16 => python/test/data/virtual_structure/POSCAR-161-bcc-16 (100%)
rename test/data/virtual_structure/poscar-221/POSCAR-06 => python/test/data/virtual_structure/POSCAR-166-221-06 (100%)
rename test/data/virtual_structure/poscar-224/POSCAR-06 => python/test/data/virtual_structure/POSCAR-166-224-06 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-06 => python/test/data/virtual_structure/POSCAR-166-227-06 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-38 => python/test/data/virtual_structure/POSCAR-166-227-38 (100%)
rename test/data/virtual_structure/poscar-222/POSCAR-06 => python/test/data/virtual_structure/POSCAR-167-222-06 (100%)
rename test/data/virtual_structure/poscar-223/POSCAR-06 => python/test/data/virtual_structure/POSCAR-167-223-06 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-06 => python/test/data/virtual_structure/POSCAR-167-230-conv-06 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-06 => python/test/data/virtual_structure/POSCAR-167-230-prim-06 (100%)
rename test/data/virtual_structure/poscars-1/POSCAR-6 => python/test/data/virtual_structure/POSCAR-167-bcc-6 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-60 => python/test/data/virtual_structure/POSCAR-17-227-60 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-85 => python/test/data/virtual_structure/POSCAR-17-227-85 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-46 => python/test/data/virtual_structure/POSCAR-17-230-conv-46 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-86 => python/test/data/virtual_structure/POSCAR-18-227-86 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-59 => python/test/data/virtual_structure/POSCAR-19-227-59 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-89 => python/test/data/virtual_structure/POSCAR-19-227-89 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-51 => python/test/data/virtual_structure/POSCAR-19-230-conv-51 (100%)
rename test/data/virtual_structure/poscar-221/POSCAR-07 => python/test/data/virtual_structure/POSCAR-195-221-07 (100%)
rename test/data/virtual_structure/poscar-222/POSCAR-07 => python/test/data/virtual_structure/POSCAR-195-222-07 (100%)
rename test/data/virtual_structure/poscar-223/POSCAR-07 => python/test/data/virtual_structure/POSCAR-195-223-07 (100%)
rename test/data/virtual_structure/poscar-224/POSCAR-07 => python/test/data/virtual_structure/POSCAR-195-224-07 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-40 => python/test/data/virtual_structure/POSCAR-198-227-40 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-20 => python/test/data/virtual_structure/POSCAR-198-230-conv-20 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-07 => python/test/data/virtual_structure/POSCAR-199-230-conv-07 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-07 => python/test/data/virtual_structure/POSCAR-199-230-prim-07 (100%)
rename test/data/virtual_structure/poscar-221/POSCAR-28 => python/test/data/virtual_structure/POSCAR-2-221-28 (100%)
rename test/data/virtual_structure/poscar-222/POSCAR-28 => python/test/data/virtual_structure/POSCAR-2-222-28 (100%)
rename test/data/virtual_structure/poscar-223/POSCAR-28 => python/test/data/virtual_structure/POSCAR-2-223-28 (100%)
rename test/data/virtual_structure/poscar-224/POSCAR-28 => python/test/data/virtual_structure/POSCAR-2-224-28 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-41 => python/test/data/virtual_structure/POSCAR-2-227-41 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-74 => python/test/data/virtual_structure/POSCAR-2-227-74 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-94 => python/test/data/virtual_structure/POSCAR-2-227-94 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-39 => python/test/data/virtual_structure/POSCAR-2-230-conv-39 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-57 => python/test/data/virtual_structure/POSCAR-2-230-conv-57 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-28 => python/test/data/virtual_structure/POSCAR-2-230-prim-28 (100%)
rename test/data/virtual_structure/poscars-1/POSCAR-28 => python/test/data/virtual_structure/POSCAR-2-bcc-28 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-53 => python/test/data/virtual_structure/POSCAR-20-227-53 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-90 => python/test/data/virtual_structure/POSCAR-20-227-90 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-53 => python/test/data/virtual_structure/POSCAR-20-230-conv-53 (100%)
rename test/data/virtual_structure/poscar-221/POSCAR-02 => python/test/data/virtual_structure/POSCAR-200-221-02 (100%)
rename test/data/virtual_structure/poscar-223/POSCAR-02 => python/test/data/virtual_structure/POSCAR-200-223-02 (100%)
rename test/data/virtual_structure/poscar-222/POSCAR-02 => python/test/data/virtual_structure/POSCAR-201-222-02 (100%)
rename test/data/virtual_structure/poscar-224/POSCAR-02 => python/test/data/virtual_structure/POSCAR-201-224-02 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-08 => python/test/data/virtual_structure/POSCAR-205-230-conv-08 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-02 => python/test/data/virtual_structure/POSCAR-206-230-conv-02 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-02 => python/test/data/virtual_structure/POSCAR-206-230-prim-02 (100%)
rename test/data/virtual_structure/poscar-221/POSCAR-04 => python/test/data/virtual_structure/POSCAR-207-221-04 (100%)
rename test/data/virtual_structure/poscar-222/POSCAR-04 => python/test/data/virtual_structure/POSCAR-207-222-04 (100%)
rename test/data/virtual_structure/poscar-223/POSCAR-04 => python/test/data/virtual_structure/POSCAR-208-223-04 (100%)
rename test/data/virtual_structure/poscar-224/POSCAR-04 => python/test/data/virtual_structure/POSCAR-208-224-04 (100%)
rename test/data/virtual_structure/poscar-221/POSCAR-23 => python/test/data/virtual_structure/POSCAR-21-221-23 (100%)
rename test/data/virtual_structure/poscar-222/POSCAR-23 => python/test/data/virtual_structure/POSCAR-21-222-23 (100%)
rename test/data/virtual_structure/poscar-223/POSCAR-23 => python/test/data/virtual_structure/POSCAR-21-223-23 (100%)
rename test/data/virtual_structure/poscar-224/POSCAR-23 => python/test/data/virtual_structure/POSCAR-21-224-23 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-49 => python/test/data/virtual_structure/POSCAR-21-230-conv-49 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-19 => python/test/data/virtual_structure/POSCAR-212-227-19 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-09 => python/test/data/virtual_structure/POSCAR-213-230-conv-09 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-04 => python/test/data/virtual_structure/POSCAR-214-230-conv-04 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-04 => python/test/data/virtual_structure/POSCAR-214-230-prim-04 (100%)
rename test/data/virtual_structure/poscar-221/POSCAR-03 => python/test/data/virtual_structure/POSCAR-215-221-03 (100%)
rename test/data/virtual_structure/poscar-224/POSCAR-03 => python/test/data/virtual_structure/POSCAR-215-224-03 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-18 => python/test/data/virtual_structure/POSCAR-215-227-18 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-03 => python/test/data/virtual_structure/POSCAR-216-227-03 (100%)
rename test/data/virtual_structure/poscar-222/POSCAR-03 => python/test/data/virtual_structure/POSCAR-218-222-03 (100%)
rename test/data/virtual_structure/poscar-223/POSCAR-03 => python/test/data/virtual_structure/POSCAR-218-223-03 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-26 => python/test/data/virtual_structure/POSCAR-22-230-conv-26 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-23 => python/test/data/virtual_structure/POSCAR-22-230-prim-23 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-03 => python/test/data/virtual_structure/POSCAR-220-230-conv-03 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-03 => python/test/data/virtual_structure/POSCAR-220-230-prim-03 (100%)
rename test/data/virtual_structure/poscar-221/POSCAR-01 => python/test/data/virtual_structure/POSCAR-221-221-01 (100%)
rename test/data/virtual_structure/poscar-222/POSCAR-01 => python/test/data/virtual_structure/POSCAR-222-222-01 (100%)
rename test/data/virtual_structure/poscar-223/POSCAR-01 => python/test/data/virtual_structure/POSCAR-223-223-01 (100%)
rename test/data/virtual_structure/poscar-224/POSCAR-01 => python/test/data/virtual_structure/POSCAR-224-224-01 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-01 => python/test/data/virtual_structure/POSCAR-227-227-01 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-01 => python/test/data/virtual_structure/POSCAR-230-230-conv-01 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-62 => python/test/data/virtual_structure/POSCAR-230-230-conv-62 (97%)
rename test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-01 => python/test/data/virtual_structure/POSCAR-230-230-prim-01 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-23 => python/test/data/virtual_structure/POSCAR-24-230-conv-23 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-20 => python/test/data/virtual_structure/POSCAR-24-230-prim-20 (100%)
rename test/data/virtual_structure/poscar-221/POSCAR-21 => python/test/data/virtual_structure/POSCAR-25-221-21 (100%)
rename test/data/virtual_structure/poscar-223/POSCAR-21 => python/test/data/virtual_structure/POSCAR-25-223-21 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-54 => python/test/data/virtual_structure/POSCAR-25-227-54 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-64 => python/test/data/virtual_structure/POSCAR-26-227-64 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-48 => python/test/data/virtual_structure/POSCAR-27-230-conv-48 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-62 => python/test/data/virtual_structure/POSCAR-28-227-62 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-52 => python/test/data/virtual_structure/POSCAR-29-230-conv-52 (100%)
rename test/data/virtual_structure/poscar-221/POSCAR-29 => python/test/data/virtual_structure/POSCAR-3-221-29 (100%)
rename test/data/virtual_structure/poscar-222/POSCAR-29 => python/test/data/virtual_structure/POSCAR-3-222-29 (100%)
rename test/data/virtual_structure/poscar-223/POSCAR-29 => python/test/data/virtual_structure/POSCAR-3-223-29 (100%)
rename test/data/virtual_structure/poscar-224/POSCAR-29 => python/test/data/virtual_structure/POSCAR-3-224-29 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-82 => python/test/data/virtual_structure/POSCAR-3-227-82 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-95 => python/test/data/virtual_structure/POSCAR-3-227-95 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-58 => python/test/data/virtual_structure/POSCAR-3-230-conv-58 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-65 => python/test/data/virtual_structure/POSCAR-30-227-65 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-58 => python/test/data/virtual_structure/POSCAR-31-227-58 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-47 => python/test/data/virtual_structure/POSCAR-32-230-conv-47 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-63 => python/test/data/virtual_structure/POSCAR-33-227-63 (100%)
rename test/data/virtual_structure/poscar-222/POSCAR-21 => python/test/data/virtual_structure/POSCAR-34-222-21 (100%)
rename test/data/virtual_structure/poscar-224/POSCAR-21 => python/test/data/virtual_structure/POSCAR-34-224-21 (100%)
rename test/data/virtual_structure/poscar-221/POSCAR-22 => python/test/data/virtual_structure/POSCAR-35-221-22 (100%)
rename test/data/virtual_structure/poscar-224/POSCAR-22 => python/test/data/virtual_structure/POSCAR-35-224-22 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-87 => python/test/data/virtual_structure/POSCAR-35-227-87 (100%)
rename test/data/virtual_structure/poscar-222/POSCAR-22 => python/test/data/virtual_structure/POSCAR-37-222-22 (100%)
rename test/data/virtual_structure/poscar-223/POSCAR-22 => python/test/data/virtual_structure/POSCAR-37-223-22 (100%)
rename test/data/virtual_structure/poscar-221/POSCAR-26 => python/test/data/virtual_structure/POSCAR-38-221-26 (100%)
rename test/data/virtual_structure/poscar-224/POSCAR-26 => python/test/data/virtual_structure/POSCAR-39-224-26 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-77 => python/test/data/virtual_structure/POSCAR-4-227-77 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-81 => python/test/data/virtual_structure/POSCAR-4-227-81 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-96 => python/test/data/virtual_structure/POSCAR-4-227-96 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-59 => python/test/data/virtual_structure/POSCAR-4-230-conv-59 (100%)
rename test/data/virtual_structure/poscar-223/POSCAR-26 => python/test/data/virtual_structure/POSCAR-40-223-26 (100%)
rename test/data/virtual_structure/poscar-222/POSCAR-26 => python/test/data/virtual_structure/POSCAR-41-222-26 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-25 => python/test/data/virtual_structure/POSCAR-43-230-conv-25 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-29 => python/test/data/virtual_structure/POSCAR-43-230-conv-29 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-22 => python/test/data/virtual_structure/POSCAR-43-230-prim-22 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-26 => python/test/data/virtual_structure/POSCAR-43-230-prim-26 (100%)
rename test/data/virtual_structure/poscars-2/POSCAR-22 => python/test/data/virtual_structure/POSCAR-43-bcc-22 (100%)
rename test/data/virtual_structure/poscars-2/POSCAR-26 => python/test/data/virtual_structure/POSCAR-43-bcc-26 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-24 => python/test/data/virtual_structure/POSCAR-44-227-24 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-24 => python/test/data/virtual_structure/POSCAR-45-230-conv-24 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-21 => python/test/data/virtual_structure/POSCAR-45-230-prim-21 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-28 => python/test/data/virtual_structure/POSCAR-46-227-28 (100%)
rename test/data/virtual_structure/poscar-221/POSCAR-08 => python/test/data/virtual_structure/POSCAR-47-221-08 (100%)
rename test/data/virtual_structure/poscar-223/POSCAR-08 => python/test/data/virtual_structure/POSCAR-47-223-08 (100%)
rename test/data/virtual_structure/poscar-222/POSCAR-08 => python/test/data/virtual_structure/POSCAR-48-222-08 (100%)
rename test/data/virtual_structure/poscar-224/POSCAR-08 => python/test/data/virtual_structure/POSCAR-48-224-08 (100%)
rename test/data/virtual_structure/poscar-221/POSCAR-32 => python/test/data/virtual_structure/POSCAR-5-221-32 (100%)
rename test/data/virtual_structure/poscar-222/POSCAR-32 => python/test/data/virtual_structure/POSCAR-5-222-32 (100%)
rename test/data/virtual_structure/poscar-223/POSCAR-32 => python/test/data/virtual_structure/POSCAR-5-223-32 (100%)
rename test/data/virtual_structure/poscar-224/POSCAR-32 => python/test/data/virtual_structure/POSCAR-5-224-32 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-45 => python/test/data/virtual_structure/POSCAR-5-227-45 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-75 => python/test/data/virtual_structure/POSCAR-5-227-75 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-98 => python/test/data/virtual_structure/POSCAR-5-227-98 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-40 => python/test/data/virtual_structure/POSCAR-5-230-conv-40 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-43 => python/test/data/virtual_structure/POSCAR-5-230-conv-43 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-61 => python/test/data/virtual_structure/POSCAR-5-230-conv-61 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-29 => python/test/data/virtual_structure/POSCAR-5-230-prim-29 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-32 => python/test/data/virtual_structure/POSCAR-5-230-prim-32 (100%)
rename test/data/virtual_structure/poscars-1/POSCAR-29 => python/test/data/virtual_structure/POSCAR-5-bcc-29 (100%)
rename test/data/virtual_structure/poscars-1/POSCAR-32 => python/test/data/virtual_structure/POSCAR-5-bcc-32 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-29 => python/test/data/virtual_structure/POSCAR-51-227-29 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-32 => python/test/data/virtual_structure/POSCAR-53-227-32 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-30 => python/test/data/virtual_structure/POSCAR-54-230-conv-30 (100%)
rename test/data/virtual_structure/poscar-221/POSCAR-30 => python/test/data/virtual_structure/POSCAR-6-221-30 (100%)
rename test/data/virtual_structure/poscar-223/POSCAR-30 => python/test/data/virtual_structure/POSCAR-6-223-30 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-79 => python/test/data/virtual_structure/POSCAR-6-227-79 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-31 => python/test/data/virtual_structure/POSCAR-61-230-conv-31 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-31 => python/test/data/virtual_structure/POSCAR-62-227-31 (100%)
rename test/data/virtual_structure/poscar-221/POSCAR-09 => python/test/data/virtual_structure/POSCAR-65-221-09 (100%)
rename test/data/virtual_structure/poscar-223/POSCAR-09 => python/test/data/virtual_structure/POSCAR-66-223-09 (100%)
rename test/data/virtual_structure/poscar-224/POSCAR-09 => python/test/data/virtual_structure/POSCAR-67-224-09 (100%)
rename test/data/virtual_structure/poscar-222/POSCAR-09 => python/test/data/virtual_structure/POSCAR-68-222-09 (100%)
rename test/data/virtual_structure/poscar-222/POSCAR-30 => python/test/data/virtual_structure/POSCAR-7-222-30 (100%)
rename test/data/virtual_structure/poscar-224/POSCAR-30 => python/test/data/virtual_structure/POSCAR-7-224-30 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-78 => python/test/data/virtual_structure/POSCAR-7-227-78 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-80 => python/test/data/virtual_structure/POSCAR-7-227-80 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-60 => python/test/data/virtual_structure/POSCAR-7-230-conv-60 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-11 => python/test/data/virtual_structure/POSCAR-70-230-conv-11 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-09 => python/test/data/virtual_structure/POSCAR-70-230-prim-09 (100%)
rename test/data/virtual_structure/poscars-2/POSCAR-9 => python/test/data/virtual_structure/POSCAR-70-bcc-9 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-10 => python/test/data/virtual_structure/POSCAR-73-230-conv-10 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-08 => python/test/data/virtual_structure/POSCAR-73-230-prim-08 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-09 => python/test/data/virtual_structure/POSCAR-74-227-09 (100%)
rename test/data/virtual_structure/poscar-221/POSCAR-25 => python/test/data/virtual_structure/POSCAR-75-221-25 (100%)
rename test/data/virtual_structure/poscar-222/POSCAR-25 => python/test/data/virtual_structure/POSCAR-75-222-25 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-61 => python/test/data/virtual_structure/POSCAR-76-227-61 (100%)
rename test/data/virtual_structure/poscar-223/POSCAR-25 => python/test/data/virtual_structure/POSCAR-77-223-25 (100%)
rename test/data/virtual_structure/poscar-224/POSCAR-25 => python/test/data/virtual_structure/POSCAR-77-224-25 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-91 => python/test/data/virtual_structure/POSCAR-78-227-91 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-54 => python/test/data/virtual_structure/POSCAR-78-230-conv-54 (100%)
rename test/data/virtual_structure/poscar-221/POSCAR-31 => python/test/data/virtual_structure/POSCAR-8-221-31 (100%)
rename test/data/virtual_structure/poscar-224/POSCAR-31 => python/test/data/virtual_structure/POSCAR-8-224-31 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-44 => python/test/data/virtual_structure/POSCAR-8-227-44 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-97 => python/test/data/virtual_structure/POSCAR-8-227-97 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-28 => python/test/data/virtual_structure/POSCAR-80-230-conv-28 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-25 => python/test/data/virtual_structure/POSCAR-80-230-prim-25 (100%)
rename test/data/virtual_structure/poscar-221/POSCAR-24 => python/test/data/virtual_structure/POSCAR-81-221-24 (100%)
rename test/data/virtual_structure/poscar-222/POSCAR-24 => python/test/data/virtual_structure/POSCAR-81-222-24 (100%)
rename test/data/virtual_structure/poscar-223/POSCAR-24 => python/test/data/virtual_structure/POSCAR-81-223-24 (100%)
rename test/data/virtual_structure/poscar-224/POSCAR-24 => python/test/data/virtual_structure/POSCAR-81-224-24 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-88 => python/test/data/virtual_structure/POSCAR-81-227-88 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-50 => python/test/data/virtual_structure/POSCAR-81-230-conv-50 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-27 => python/test/data/virtual_structure/POSCAR-82-230-conv-27 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-24 => python/test/data/virtual_structure/POSCAR-82-230-prim-24 (100%)
rename test/data/virtual_structure/poscar-221/POSCAR-10 => python/test/data/virtual_structure/POSCAR-83-221-10 (100%)
rename test/data/virtual_structure/poscar-223/POSCAR-10 => python/test/data/virtual_structure/POSCAR-84-223-10 (100%)
rename test/data/virtual_structure/poscar-222/POSCAR-10 => python/test/data/virtual_structure/POSCAR-85-222-10 (100%)
rename test/data/virtual_structure/poscar-224/POSCAR-10 => python/test/data/virtual_structure/POSCAR-86-224-10 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-12 => python/test/data/virtual_structure/POSCAR-88-230-conv-12 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-10 => python/test/data/virtual_structure/POSCAR-88-230-prim-10 (100%)
rename test/data/virtual_structure/poscar-221/POSCAR-12 => python/test/data/virtual_structure/POSCAR-89-221-12 (100%)
rename test/data/virtual_structure/poscar-222/POSCAR-12 => python/test/data/virtual_structure/POSCAR-89-222-12 (100%)
rename test/data/virtual_structure/poscar-222/POSCAR-31 => python/test/data/virtual_structure/POSCAR-9-222-31 (100%)
rename test/data/virtual_structure/poscar-223/POSCAR-31 => python/test/data/virtual_structure/POSCAR-9-223-31 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-43 => python/test/data/virtual_structure/POSCAR-9-227-43 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-41 => python/test/data/virtual_structure/POSCAR-9-230-conv-41 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-42 => python/test/data/virtual_structure/POSCAR-9-230-conv-42 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-30 => python/test/data/virtual_structure/POSCAR-9-230-prim-30 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-31 => python/test/data/virtual_structure/POSCAR-9-230-prim-31 (100%)
rename test/data/virtual_structure/poscars-1/POSCAR-30 => python/test/data/virtual_structure/POSCAR-9-bcc-30 (100%)
rename test/data/virtual_structure/poscars-1/POSCAR-31 => python/test/data/virtual_structure/POSCAR-9-bcc-31 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-67 => python/test/data/virtual_structure/POSCAR-91-227-67 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-35 => python/test/data/virtual_structure/POSCAR-92-227-35 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-35 => python/test/data/virtual_structure/POSCAR-92-230-conv-35 (100%)
rename test/data/virtual_structure/poscar-223/POSCAR-12 => python/test/data/virtual_structure/POSCAR-93-223-12 (100%)
rename test/data/virtual_structure/poscar-224/POSCAR-12 => python/test/data/virtual_structure/POSCAR-93-224-12 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-36 => python/test/data/virtual_structure/POSCAR-95-227-36 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-32 => python/test/data/virtual_structure/POSCAR-95-230-conv-32 (100%)
rename test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-69 => python/test/data/virtual_structure/POSCAR-96-227-69 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-14 => python/test/data/virtual_structure/POSCAR-98-230-conv-14 (100%)
rename test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-12 => python/test/data/virtual_structure/POSCAR-98-230-prim-12 (100%)
rename test/data/virtual_structure/poscar-221/POSCAR-13 => python/test/data/virtual_structure/POSCAR-99-221-13 (100%)
create mode 100644 python/test/delaunay_lattices.dat
create mode 100644 python/test/lattices.dat
create mode 100644 python/test/niggli_lattices.dat
create mode 100644 python/test/test_collinear_spin.py
create mode 100644 python/test/test_hall_number_from_symmetry.py
create mode 100644 python/test/test_niggli_delaunay.py
create mode 100644 python/test/test_pure_trans.py
create mode 100644 python/test/test_reciprocal_mesh.py
create mode 100644 python/test/test_spglib.py
create mode 100644 python/test/vasp.py
rename {test => ruby}/README (100%)
rename {test => ruby}/extconf.rb (100%)
create mode 100644 ruby/getspg.c
rename {test => ruby}/poscar.rb (91%)
rename {test => ruby}/poscar2findsym.rb (98%)
create mode 100644 ruby/symPoscar.rb
delete mode 100644 src/ChangeLog
delete mode 100644 src/Makefile.in
create mode 100644 src/arithmetic.c
create mode 100644 src/arithmetic.h
create mode 100644 src/delaunay.c
create mode 100644 src/delaunay.h
create mode 100644 src/determination.c
create mode 100644 src/determination.h
create mode 100644 src/kgrid.c
create mode 100644 src/kgrid.h
delete mode 100644 src/lattice.c
delete mode 100644 src/lattice.h
create mode 100644 src/niggli.c
create mode 100644 src/niggli.h
create mode 100644 src/test.c
create mode 100644 src/tetrahedron_method.c
create mode 100644 src/tetrahedron_method.h
create mode 100644 src/version.h
delete mode 100755 test/check_consistency.py
delete mode 100644 test/data/others/spg/README
delete mode 100755 test/data/test-all.zsh
delete mode 100755 test/data/test-cubic.zsh
delete mode 100755 test/data/test-hexa.zsh
delete mode 100755 test/data/test-monocli.zsh
delete mode 100755 test/data/test-ortho.zsh
delete mode 100755 test/data/test-refined_symmetry.zsh
delete mode 100755 test/data/test-tetra.zsh
delete mode 100755 test/data/test-tricli.zsh
delete mode 100755 test/data/test-trigo.zsh
delete mode 100644 test/data/virtual_structure/rhombohedral/findsym.log
delete mode 100755 test/data/virtual_structure/test-virtual.zsh
delete mode 100644 test/getspg.c
delete mode 100644 test/symPoscar.rb
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