[spglib] 03/03: Merge tag 'upstream/1.10.1'
Andrius Merkys
merkys-guest at moszumanska.debian.org
Tue Dec 5 07:39:48 UTC 2017
This is an automated email from the git hooks/post-receive script.
merkys-guest pushed a commit to branch master
in repository spglib.
commit 1560013c6887d089655d29b6b4970da3e9b5b950
Merge: 4d867a9 28306b9
Author: Andrius Merkys <andrius.merkys at gmail.com>
Date: Tue Dec 5 09:39:21 2017 +0200
Merge tag 'upstream/1.10.1'
Upstream version 1.10.1
.gitignore | 92 +
.travis.yml | 155 +
CMakeLists.txt | 67 +
COPYING | 27 +
ChangeLog | 1315 +++
Makefile.am | 11 +
README.md | 19 +
configure.ac | 35 +
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 ++
doc/api.rst | 732 ++
doc/change-of-basis.ai | 4852 +++++++++++
doc/change-of-basis.png | Bin 0 -> 15689 bytes
doc/conf.py | 268 +
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 | 17 +
example/README | 45 +
example/example.c | 862 ++
example/example.f90 | 188 +
example/example_f08.f90 | 232 +
example/frequency.dat | 1536 ++++
example/spglib_f08.f90 | 534 ++
example/tetrahedron.c | 221 +
python/MANIFEST.in | 6 +
python/README.rst | 56 +
python/__nanoversion__.txt | 1 +
python/_spglib.c | 1062 +++
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/examples/atoms.py | 417 +
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 ++
python/test/data/cubic/POSCAR-195 | 95 +
python/test/data/cubic/POSCAR-195-2 | 27 +
python/test/data/cubic/POSCAR-196 | 247 +
python/test/data/cubic/POSCAR-196-2 | 439 +
python/test/data/cubic/POSCAR-197 | 73 +
python/test/data/cubic/POSCAR-197-2 | 73 +
python/test/data/cubic/POSCAR-198 | 31 +
python/test/data/cubic/POSCAR-198-2 | 71 +
python/test/data/cubic/POSCAR-199 | 87 +
python/test/data/cubic/POSCAR-199-2 | 35 +
python/test/data/cubic/POSCAR-200 | 45 +
python/test/data/cubic/POSCAR-200-2 | 18 +
python/test/data/cubic/POSCAR-205 | 19 +
python/test/data/cubic/POSCAR-205-3 | 19 +
python/test/data/cubic/POSCAR-206 | 87 +
python/test/data/cubic/POSCAR-206-2 | 87 +
python/test/data/cubic/POSCAR-207 | 40 +
python/test/data/cubic/POSCAR-208 | 23 +
python/test/data/cubic/POSCAR-208-2 | 71 +
python/test/data/cubic/POSCAR-209 | 515 ++
python/test/data/cubic/POSCAR-210 | 343 +
python/test/data/cubic/POSCAR-210-2 | 615 ++
python/test/data/cubic/POSCAR-211 | 79 +
python/test/data/cubic/POSCAR-212 | 19 +
python/test/data/cubic/POSCAR-212-2 | 19 +
python/test/data/cubic/POSCAR-213 | 79 +
python/test/data/cubic/POSCAR-213-2 | 39 +
python/test/data/cubic/POSCAR-214 | 839 ++
python/test/data/cubic/POSCAR-214-2 | 63 +
python/test/data/cubic/POSCAR-215 | 15 +
python/test/data/cubic/POSCAR-215-2 | 60 +
python/test/data/cubic/POSCAR-216 | 31 +
python/test/data/cubic/POSCAR-216-2 | 55 +
python/test/data/cubic/POSCAR-217 | 71 +
python/test/data/cubic/POSCAR-217-2 | 65 +
python/test/data/cubic/POSCAR-218 | 53 +
python/test/data/cubic/POSCAR-218-2 | 23 +
python/test/data/cubic/POSCAR-219 | 183 +
python/test/data/cubic/POSCAR-219-2 | 223 +
python/test/data/cubic/POSCAR-220 | 47 +
python/test/data/cubic/POSCAR-220-2 | 47 +
python/test/data/cubic/POSCAR-221 | 73 +
python/test/data/cubic/POSCAR-221-2 | 12 +
python/test/data/cubic/POSCAR-222 | 103 +
python/test/data/cubic/POSCAR-222-2 | 271 +
python/test/data/cubic/POSCAR-223 | 15 +
python/test/data/cubic/POSCAR-223-2 | 61 +
python/test/data/cubic/POSCAR-224 | 17 +
python/test/data/cubic/POSCAR-224-2 | 17 +
python/test/data/cubic/POSCAR-225 | 43 +
python/test/data/cubic/POSCAR-225-2 | 47 +
python/test/data/cubic/POSCAR-226 | 1607 ++++
python/test/data/cubic/POSCAR-226-2 | 119 +
python/test/data/cubic/POSCAR-227 | 167 +
python/test/data/cubic/POSCAR-227-2 | 479 ++
python/test/data/cubic/POSCAR-228 | 231 +
python/test/data/cubic/POSCAR-228-2 | 567 ++
python/test/data/cubic/POSCAR-229 | 409 +
python/test/data/cubic/POSCAR-229-2 | 21 +
python/test/data/cubic/POSCAR-230 | 167 +
python/test/data/cubic/POSCAR-230-2 | 167 +
python/test/data/cubic/POSCAR-230-3 | 215 +
python/test/data/cubic/POSCAR-230-4 | 111 +
python/test/data/distorted/POSCAR-161-1 | 48 +
python/test/data/distorted/POSCAR-161-2 | 48 +
python/test/data/distorted/POSCAR-36 | 48 +
python/test/data/distorted/POSCAR-5 | 48 +
python/test/data/distorted/POSCAR-6 | 48 +
python/test/data/distorted/POSCAR-7-1 | 48 +
python/test/data/distorted/POSCAR-7-2 | 48 +
python/test/data/distorted/POSCAR-8 | 48 +
python/test/data/hexagonal/POSCAR-168 | 64 +
python/test/data/hexagonal/POSCAR-169 | 37 +
python/test/data/hexagonal/POSCAR-169-2 | 91 +
python/test/data/hexagonal/POSCAR-170 | 37 +
python/test/data/hexagonal/POSCAR-170-2 | 145 +
python/test/data/hexagonal/POSCAR-171 | 79 +
python/test/data/hexagonal/POSCAR-171-2 | 46 +
python/test/data/hexagonal/POSCAR-172 | 46 +
python/test/data/hexagonal/POSCAR-173 | 15 +
python/test/data/hexagonal/POSCAR-173-2 | 33 +
python/test/data/hexagonal/POSCAR-174 | 28 +
python/test/data/hexagonal/POSCAR-174-2 | 115 +
python/test/data/hexagonal/POSCAR-175 | 75 +
python/test/data/hexagonal/POSCAR-175-2 | 29 +
python/test/data/hexagonal/POSCAR-176 | 15 +
python/test/data/hexagonal/POSCAR-176-2 | 55 +
python/test/data/hexagonal/POSCAR-177 | 68 +
python/test/data/hexagonal/POSCAR-179 | 25 +
python/test/data/hexagonal/POSCAR-179-2 | 97 +
python/test/data/hexagonal/POSCAR-180 | 16 +
python/test/data/hexagonal/POSCAR-180-2 | 16 +
python/test/data/hexagonal/POSCAR-181 | 16 +
python/test/data/hexagonal/POSCAR-181-2 | 91 +
python/test/data/hexagonal/POSCAR-182 | 27 +
python/test/data/hexagonal/POSCAR-182-2 | 21 +
python/test/data/hexagonal/POSCAR-183 | 143 +
python/test/data/hexagonal/POSCAR-183-2 | 10 +
python/test/data/hexagonal/POSCAR-184 | 79 +
python/test/data/hexagonal/POSCAR-184-2 | 85 +
python/test/data/hexagonal/POSCAR-185 | 73 +
python/test/data/hexagonal/POSCAR-185-2 | 37 +
python/test/data/hexagonal/POSCAR-186 | 29 +
python/test/data/hexagonal/POSCAR-186-2 | 63 +
python/test/data/hexagonal/POSCAR-187 | 9 +
python/test/data/hexagonal/POSCAR-187-2 | 21 +
python/test/data/hexagonal/POSCAR-188 | 15 +
python/test/data/hexagonal/POSCAR-188-2 | 63 +
python/test/data/hexagonal/POSCAR-189 | 19 +
python/test/data/hexagonal/POSCAR-189-2 | 25 +
python/test/data/hexagonal/POSCAR-190 | 23 +
python/test/data/hexagonal/POSCAR-190-2 | 43 +
python/test/data/hexagonal/POSCAR-191 | 10 +
python/test/data/hexagonal/POSCAR-191-2 | 40 +
python/test/data/hexagonal/POSCAR-192 | 107 +
python/test/data/hexagonal/POSCAR-192-2 | 65 +
python/test/data/hexagonal/POSCAR-193 | 23 +
python/test/data/hexagonal/POSCAR-193-2 | 47 +
python/test/data/hexagonal/POSCAR-194 | 15 +
python/test/data/hexagonal/POSCAR-194-2 | 31 +
python/test/data/monoclinic/POSCAR-003 | 19 +
python/test/data/monoclinic/POSCAR-004 | 31 +
python/test/data/monoclinic/POSCAR-004-2 | 39 +
python/test/data/monoclinic/POSCAR-005 | 31 +
python/test/data/monoclinic/POSCAR-005-2 | 109 +
python/test/data/monoclinic/POSCAR-006 | 59 +
python/test/data/monoclinic/POSCAR-006-2 | 20 +
python/test/data/monoclinic/POSCAR-007 | 43 +
python/test/data/monoclinic/POSCAR-007-2 | 107 +
python/test/data/monoclinic/POSCAR-008 | 117 +
python/test/data/monoclinic/POSCAR-008-2 | 231 +
python/test/data/monoclinic/POSCAR-009 | 91 +
python/test/data/monoclinic/POSCAR-009-2 | 163 +
python/test/data/monoclinic/POSCAR-010 | 34 +
python/test/data/monoclinic/POSCAR-010-2 | 34 +
python/test/data/monoclinic/POSCAR-011 | 29 +
python/test/data/monoclinic/POSCAR-011-2 | 33 +
python/test/data/monoclinic/POSCAR-012 | 32 +
python/test/data/monoclinic/POSCAR-012-2 | 56 +
python/test/data/monoclinic/POSCAR-012-3 | 59 +
python/test/data/monoclinic/POSCAR-013 | 21 +
python/test/data/monoclinic/POSCAR-013-2 | 63 +
python/test/data/monoclinic/POSCAR-013-3 | 27 +
python/test/data/monoclinic/POSCAR-014 | 33 +
python/test/data/monoclinic/POSCAR-014-2 | 39 +
python/test/data/monoclinic/POSCAR-015 | 56 +
python/test/data/monoclinic/POSCAR-015-2 | 104 +
python/test/data/monoclinic/POSCAR-015-3 | 55 +
python/test/data/orthorhombic/POSCAR-016 | 211 +
python/test/data/orthorhombic/POSCAR-016-2 | 19 +
python/test/data/orthorhombic/POSCAR-017-2 | 19 +
python/test/data/orthorhombic/POSCAR-018 | 67 +
python/test/data/orthorhombic/POSCAR-018-2 | 39 +
python/test/data/orthorhombic/POSCAR-019 | 32 +
python/test/data/orthorhombic/POSCAR-019-2 | 31 +
python/test/data/orthorhombic/POSCAR-020 | 31 +
python/test/data/orthorhombic/POSCAR-021 | 29 +
python/test/data/orthorhombic/POSCAR-021-2 | 25 +
python/test/data/orthorhombic/POSCAR-022 | 103 +
python/test/data/orthorhombic/POSCAR-023 | 73 +
python/test/data/orthorhombic/POSCAR-023-2 | 51 +
python/test/data/orthorhombic/POSCAR-024 | 51 +
python/test/data/orthorhombic/POSCAR-024-2 | 111 +
python/test/data/orthorhombic/POSCAR-025 | 9 +
python/test/data/orthorhombic/POSCAR-025-2 | 27 +
python/test/data/orthorhombic/POSCAR-026 | 29 +
python/test/data/orthorhombic/POSCAR-026-2 | 41 +
python/test/data/orthorhombic/POSCAR-027 | 115 +
python/test/data/orthorhombic/POSCAR-027-2 | 151 +
python/test/data/orthorhombic/POSCAR-028 | 23 +
python/test/data/orthorhombic/POSCAR-028-2 | 15 +
python/test/data/orthorhombic/POSCAR-029 | 155 +
python/test/data/orthorhombic/POSCAR-029-2 | 43 +
python/test/data/orthorhombic/POSCAR-030 | 63 +
python/test/data/orthorhombic/POSCAR-030-2 | 27 +
python/test/data/orthorhombic/POSCAR-031 | 27 +
python/test/data/orthorhombic/POSCAR-031-2 | 33 +
python/test/data/orthorhombic/POSCAR-032 | 75 +
python/test/data/orthorhombic/POSCAR-032-2 | 47 +
python/test/data/orthorhombic/POSCAR-033 | 32 +
python/test/data/orthorhombic/POSCAR-033-2 | 31 +
python/test/data/orthorhombic/POSCAR-033-3 | 59 +
python/test/data/orthorhombic/POSCAR-034 | 63 +
python/test/data/orthorhombic/POSCAR-034-2 | 39 +
python/test/data/orthorhombic/POSCAR-035 | 29 +
python/test/data/orthorhombic/POSCAR-035-2 | 103 +
python/test/data/orthorhombic/POSCAR-036 | 375 +
python/test/data/orthorhombic/POSCAR-036-2 | 207 +
python/test/data/orthorhombic/POSCAR-037 | 99 +
python/test/data/orthorhombic/POSCAR-037-2 | 43 +
python/test/data/orthorhombic/POSCAR-038 | 31 +
python/test/data/orthorhombic/POSCAR-038-2 | 29 +
python/test/data/orthorhombic/POSCAR-039 | 95 +
python/test/data/orthorhombic/POSCAR-039-2 | 79 +
python/test/data/orthorhombic/POSCAR-040 | 35 +
python/test/data/orthorhombic/POSCAR-040-2 | 19 +
python/test/data/orthorhombic/POSCAR-041 | 111 +
python/test/data/orthorhombic/POSCAR-041-2 | 51 +
python/test/data/orthorhombic/POSCAR-042 | 43 +
python/test/data/orthorhombic/POSCAR-043 | 223 +
python/test/data/orthorhombic/POSCAR-043-2 | 263 +
python/test/data/orthorhombic/POSCAR-044 | 15 +
python/test/data/orthorhombic/POSCAR-044-2 | 29 +
python/test/data/orthorhombic/POSCAR-045 | 99 +
python/test/data/orthorhombic/POSCAR-045-2 | 47 +
python/test/data/orthorhombic/POSCAR-046 | 103 +
python/test/data/orthorhombic/POSCAR-046-2 | 39 +
python/test/data/orthorhombic/POSCAR-047 | 11 +
python/test/data/orthorhombic/POSCAR-047-2 | 19 +
python/test/data/orthorhombic/POSCAR-048 | 31 +
python/test/data/orthorhombic/POSCAR-048-2 | 31 +
python/test/data/orthorhombic/POSCAR-049 | 31 +
python/test/data/orthorhombic/POSCAR-049-2 | 21 +
python/test/data/orthorhombic/POSCAR-050 | 51 +
python/test/data/orthorhombic/POSCAR-050-2 | 63 +
python/test/data/orthorhombic/POSCAR-051 | 65 +
python/test/data/orthorhombic/POSCAR-051-2 | 23 +
python/test/data/orthorhombic/POSCAR-051-3 | 15 +
python/test/data/orthorhombic/POSCAR-052 | 43 +
python/test/data/orthorhombic/POSCAR-052-2 | 27 +
python/test/data/orthorhombic/POSCAR-053 | 87 +
python/test/data/orthorhombic/POSCAR-053-2 | 17 +
python/test/data/orthorhombic/POSCAR-054 | 47 +
python/test/data/orthorhombic/POSCAR-054-2 | 47 +
python/test/data/orthorhombic/POSCAR-055 | 31 +
python/test/data/orthorhombic/POSCAR-055-2 | 23 +
python/test/data/orthorhombic/POSCAR-056 | 27 +
python/test/data/orthorhombic/POSCAR-056-2 | 59 +
python/test/data/orthorhombic/POSCAR-057 | 27 +
python/test/data/orthorhombic/POSCAR-057-2 | 47 +
python/test/data/orthorhombic/POSCAR-058 | 207 +
python/test/data/orthorhombic/POSCAR-058-2 | 17 +
python/test/data/orthorhombic/POSCAR-058-3 | 20 +
python/test/data/orthorhombic/POSCAR-059 | 21 +
python/test/data/orthorhombic/POSCAR-059-2 | 13 +
python/test/data/orthorhombic/POSCAR-060 | 55 +
python/test/data/orthorhombic/POSCAR-060-2 | 83 +
python/test/data/orthorhombic/POSCAR-060-3 | 32 +
python/test/data/orthorhombic/POSCAR-061 | 127 +
python/test/data/orthorhombic/POSCAR-061-2 | 23 +
python/test/data/orthorhombic/POSCAR-062 | 27 +
python/test/data/orthorhombic/POSCAR-062-2 | 83 +
python/test/data/orthorhombic/POSCAR-063 | 39 +
python/test/data/orthorhombic/POSCAR-063-2 | 43 +
python/test/data/orthorhombic/POSCAR-063-3 | 63 +
python/test/data/orthorhombic/POSCAR-064 | 35 +
python/test/data/orthorhombic/POSCAR-064-2 | 35 +
python/test/data/orthorhombic/POSCAR-064-3 | 32 +
python/test/data/orthorhombic/POSCAR-065 | 23 +
python/test/data/orthorhombic/POSCAR-065-2 | 17 +
python/test/data/orthorhombic/POSCAR-065-3 | 12 +
python/test/data/orthorhombic/POSCAR-066 | 43 +
python/test/data/orthorhombic/POSCAR-066-2 | 55 +
python/test/data/orthorhombic/POSCAR-067 | 55 +
python/test/data/orthorhombic/POSCAR-067-2 | 75 +
python/test/data/orthorhombic/POSCAR-067-3 | 27 +
python/test/data/orthorhombic/POSCAR-068 | 115 +
python/test/data/orthorhombic/POSCAR-068-2 | 27 +
python/test/data/orthorhombic/POSCAR-069 | 43 +
python/test/data/orthorhombic/POSCAR-069-2 | 19 +
python/test/data/orthorhombic/POSCAR-070 | 55 +
python/test/data/orthorhombic/POSCAR-070-2 | 47 +
python/test/data/orthorhombic/POSCAR-071 | 29 +
python/test/data/orthorhombic/POSCAR-071-2 | 15 +
python/test/data/orthorhombic/POSCAR-072 | 51 +
python/test/data/orthorhombic/POSCAR-072-2 | 27 +
python/test/data/orthorhombic/POSCAR-073 | 103 +
python/test/data/orthorhombic/POSCAR-073-2 | 55 +
python/test/data/orthorhombic/POSCAR-074 | 63 +
python/test/data/orthorhombic/POSCAR-074-2 | 35 +
python/test/data/tetragonal/POSCAR-075 | 101 +
python/test/data/tetragonal/POSCAR-075-2 | 67 +
python/test/data/tetragonal/POSCAR-076 | 23 +
python/test/data/tetragonal/POSCAR-076-2 | 43 +
python/test/data/tetragonal/POSCAR-077 | 119 +
python/test/data/tetragonal/POSCAR-077-2 | 79 +
python/test/data/tetragonal/POSCAR-077-3 | 119 +
python/test/data/tetragonal/POSCAR-078 | 115 +
python/test/data/tetragonal/POSCAR-078-2 | 119 +
python/test/data/tetragonal/POSCAR-079 | 35 +
python/test/data/tetragonal/POSCAR-079-2 | 119 +
python/test/data/tetragonal/POSCAR-080 | 143 +
python/test/data/tetragonal/POSCAR-080-2 | 55 +
python/test/data/tetragonal/POSCAR-081 | 29 +
python/test/data/tetragonal/POSCAR-081-2 | 37 +
python/test/data/tetragonal/POSCAR-082 | 21 +
python/test/data/tetragonal/POSCAR-082-2 | 21 +
python/test/data/tetragonal/POSCAR-083 | 27 +
python/test/data/tetragonal/POSCAR-083-2 | 47 +
python/test/data/tetragonal/POSCAR-083-3 | 47 +
python/test/data/tetragonal/POSCAR-084 | 23 +
python/test/data/tetragonal/POSCAR-084-2 | 27 +
python/test/data/tetragonal/POSCAR-085 | 21 +
python/test/data/tetragonal/POSCAR-085-2 | 41 +
python/test/data/tetragonal/POSCAR-086 | 39 +
python/test/data/tetragonal/POSCAR-086-2 | 25 +
python/test/data/tetragonal/POSCAR-087 | 65 +
python/test/data/tetragonal/POSCAR-087-2 | 33 +
python/test/data/tetragonal/POSCAR-088 | 103 +
python/test/data/tetragonal/POSCAR-088-2 | 47 +
python/test/data/tetragonal/POSCAR-090 | 61 +
python/test/data/tetragonal/POSCAR-090-2 | 43 +
python/test/data/tetragonal/POSCAR-091 | 39 +
python/test/data/tetragonal/POSCAR-091-2 | 199 +
python/test/data/tetragonal/POSCAR-092 | 87 +
python/test/data/tetragonal/POSCAR-092-2 | 59 +
python/test/data/tetragonal/POSCAR-092-3 | 32 +
python/test/data/tetragonal/POSCAR-094 | 25 +
python/test/data/tetragonal/POSCAR-094-2 | 191 +
python/test/data/tetragonal/POSCAR-094-3 | 51 +
python/test/data/tetragonal/POSCAR-095 | 35 +
python/test/data/tetragonal/POSCAR-095-2 | 35 +
python/test/data/tetragonal/POSCAR-096 | 91 +
python/test/data/tetragonal/POSCAR-096-2 | 71 +
python/test/data/tetragonal/POSCAR-097 | 69 +
python/test/data/tetragonal/POSCAR-097-2 | 51 +
python/test/data/tetragonal/POSCAR-098 | 19 +
python/test/data/tetragonal/POSCAR-098-2 | 191 +
python/test/data/tetragonal/POSCAR-099 | 12 +
python/test/data/tetragonal/POSCAR-099-2 | 12 +
python/test/data/tetragonal/POSCAR-100 | 33 +
python/test/data/tetragonal/POSCAR-100-2 | 37 +
python/test/data/tetragonal/POSCAR-102 | 27 +
python/test/data/tetragonal/POSCAR-102-2 | 37 +
python/test/data/tetragonal/POSCAR-103 | 17 +
python/test/data/tetragonal/POSCAR-103-2 | 17 +
python/test/data/tetragonal/POSCAR-104 | 29 +
python/test/data/tetragonal/POSCAR-104-2 | 35 +
python/test/data/tetragonal/POSCAR-105 | 27 +
python/test/data/tetragonal/POSCAR-105-2 | 19 +
python/test/data/tetragonal/POSCAR-106 | 71 +
python/test/data/tetragonal/POSCAR-107 | 47 +
python/test/data/tetragonal/POSCAR-107-2 | 17 +
python/test/data/tetragonal/POSCAR-107-3 | 35 +
python/test/data/tetragonal/POSCAR-108 | 35 +
python/test/data/tetragonal/POSCAR-108-2 | 39 +
python/test/data/tetragonal/POSCAR-109 | 15 +
python/test/data/tetragonal/POSCAR-109-2 | 95 +
python/test/data/tetragonal/POSCAR-110 | 183 +
python/test/data/tetragonal/POSCAR-110-2 | 167 +
python/test/data/tetragonal/POSCAR-111 | 27 +
python/test/data/tetragonal/POSCAR-111-2 | 14 +
python/test/data/tetragonal/POSCAR-112 | 19 +
python/test/data/tetragonal/POSCAR-112-2 | 19 +
python/test/data/tetragonal/POSCAR-113 | 23 +
python/test/data/tetragonal/POSCAR-113-2 | 17 +
python/test/data/tetragonal/POSCAR-114 | 45 +
python/test/data/tetragonal/POSCAR-114-2 | 71 +
python/test/data/tetragonal/POSCAR-115 | 12 +
python/test/data/tetragonal/POSCAR-115-2 | 21 +
python/test/data/tetragonal/POSCAR-115-3 | 20 +
python/test/data/tetragonal/POSCAR-115-4 | 22 +
python/test/data/tetragonal/POSCAR-115-5 | 15 +
python/test/data/tetragonal/POSCAR-116 | 51 +
python/test/data/tetragonal/POSCAR-116-2 | 227 +
python/test/data/tetragonal/POSCAR-117 | 47 +
python/test/data/tetragonal/POSCAR-117-2 | 43 +
python/test/data/tetragonal/POSCAR-118 | 13 +
python/test/data/tetragonal/POSCAR-118-2 | 33 +
python/test/data/tetragonal/POSCAR-119 | 31 +
python/test/data/tetragonal/POSCAR-119-2 | 15 +
python/test/data/tetragonal/POSCAR-120 | 63 +
python/test/data/tetragonal/POSCAR-120-2 | 127 +
python/test/data/tetragonal/POSCAR-121 | 19 +
python/test/data/tetragonal/POSCAR-121-2 | 23 +
python/test/data/tetragonal/POSCAR-122 | 91 +
python/test/data/tetragonal/POSCAR-122-2 | 135 +
python/test/data/tetragonal/POSCAR-122-3 | 32 +
python/test/data/tetragonal/POSCAR-123 | 9 +
python/test/data/tetragonal/POSCAR-123-2 | 163 +
python/test/data/tetragonal/POSCAR-123-3 | 12 +
python/test/data/tetragonal/POSCAR-124 | 19 +
python/test/data/tetragonal/POSCAR-124-2 | 29 +
python/test/data/tetragonal/POSCAR-125 | 21 +
python/test/data/tetragonal/POSCAR-125-2 | 27 +
python/test/data/tetragonal/POSCAR-126 | 37 +
python/test/data/tetragonal/POSCAR-126-2 | 31 +
python/test/data/tetragonal/POSCAR-127 | 27 +
python/test/data/tetragonal/POSCAR-127-2 | 17 +
python/test/data/tetragonal/POSCAR-128 | 25 +
python/test/data/tetragonal/POSCAR-128-2 | 41 +
python/test/data/tetragonal/POSCAR-129 | 11 +
python/test/data/tetragonal/POSCAR-129-2 | 11 +
python/test/data/tetragonal/POSCAR-129-3 | 11 +
python/test/data/tetragonal/POSCAR-130 | 43 +
python/test/data/tetragonal/POSCAR-130-2 | 71 +
python/test/data/tetragonal/POSCAR-131 | 11 +
python/test/data/tetragonal/POSCAR-131-2 | 15 +
python/test/data/tetragonal/POSCAR-132 | 19 +
python/test/data/tetragonal/POSCAR-132-2 | 25 +
python/test/data/tetragonal/POSCAR-133 | 39 +
python/test/data/tetragonal/POSCAR-133-2 | 167 +
python/test/data/tetragonal/POSCAR-134 | 57 +
python/test/data/tetragonal/POSCAR-134-2 | 23 +
python/test/data/tetragonal/POSCAR-135 | 35 +
python/test/data/tetragonal/POSCAR-135-2 | 35 +
python/test/data/tetragonal/POSCAR-136 | 13 +
python/test/data/tetragonal/POSCAR-136-2 | 13 +
python/test/data/tetragonal/POSCAR-136-3 | 20 +
python/test/data/tetragonal/POSCAR-136-4 | 19 +
python/test/data/tetragonal/POSCAR-136-5 | 11 +
python/test/data/tetragonal/POSCAR-137 | 23 +
python/test/data/tetragonal/POSCAR-137-2 | 13 +
python/test/data/tetragonal/POSCAR-137-3 | 20 +
python/test/data/tetragonal/POSCAR-138 | 55 +
python/test/data/tetragonal/POSCAR-138-2 | 15 +
python/test/data/tetragonal/POSCAR-139 | 91 +
python/test/data/tetragonal/POSCAR-139-2 | 17 +
python/test/data/tetragonal/POSCAR-140 | 211 +
python/test/data/tetragonal/POSCAR-140-2 | 39 +
python/test/data/tetragonal/POSCAR-141 | 31 +
python/test/data/tetragonal/POSCAR-141-2 | 71 +
python/test/data/tetragonal/POSCAR-142 | 239 +
python/test/data/tetragonal/POSCAR-142-2 | 103 +
python/test/data/tetragonal/POSCAR-142-3 | 95 +
python/test/data/triclinic/POSCAR-001 | 16 +
python/test/data/triclinic/POSCAR-002 | 51 +
python/test/data/trigonal/POSCAR-143 | 29 +
python/test/data/trigonal/POSCAR-143-2 | 43 +
python/test/data/trigonal/POSCAR-144 | 52 +
python/test/data/trigonal/POSCAR-144-2 | 22 +
python/test/data/trigonal/POSCAR-145 | 163 +
python/test/data/trigonal/POSCAR-145-2 | 52 +
python/test/data/trigonal/POSCAR-146 | 100 +
python/test/data/trigonal/POSCAR-146-2 | 28 +
python/test/data/trigonal/POSCAR-147 | 115 +
python/test/data/trigonal/POSCAR-147-2 | 45 +
python/test/data/trigonal/POSCAR-148 | 58 +
python/test/data/trigonal/POSCAR-148-2 | 319 +
python/test/data/trigonal/POSCAR-149 | 16 +
python/test/data/trigonal/POSCAR-149-2 | 24 +
python/test/data/trigonal/POSCAR-150 | 34 +
python/test/data/trigonal/POSCAR-150-2 | 34 +
python/test/data/trigonal/POSCAR-151 | 31 +
python/test/data/trigonal/POSCAR-151-2 | 43 +
python/test/data/trigonal/POSCAR-152 | 118 +
python/test/data/trigonal/POSCAR-152-2 | 25 +
python/test/data/trigonal/POSCAR-153 | 31 +
python/test/data/trigonal/POSCAR-154 | 16 +
python/test/data/trigonal/POSCAR-154-2 | 55 +
python/test/data/trigonal/POSCAR-154-3 | 26 +
python/test/data/trigonal/POSCAR-155 | 67 +
python/test/data/trigonal/POSCAR-155-2 | 88 +
python/test/data/trigonal/POSCAR-156 | 11 +
python/test/data/trigonal/POSCAR-156-2 | 14 +
python/test/data/trigonal/POSCAR-157 | 196 +
python/test/data/trigonal/POSCAR-157-2 | 27 +
python/test/data/trigonal/POSCAR-158 | 15 +
python/test/data/trigonal/POSCAR-158-2 | 91 +
python/test/data/trigonal/POSCAR-159 | 87 +
python/test/data/trigonal/POSCAR-159-2 | 43 +
python/test/data/trigonal/POSCAR-160 | 33 +
python/test/data/trigonal/POSCAR-160-2 | 22 +
python/test/data/trigonal/POSCAR-161 | 277 +
python/test/data/trigonal/POSCAR-161-2 | 37 +
python/test/data/trigonal/POSCAR-162 | 21 +
python/test/data/trigonal/POSCAR-162-2 | 16 +
python/test/data/trigonal/POSCAR-163 | 23 +
python/test/data/trigonal/POSCAR-163-2 | 27 +
python/test/data/trigonal/POSCAR-164 | 10 +
python/test/data/trigonal/POSCAR-164-2 | 17 +
python/test/data/trigonal/POSCAR-165 | 31 +
python/test/data/trigonal/POSCAR-165-2 | 97 +
python/test/data/trigonal/POSCAR-166 | 67 +
python/test/data/trigonal/POSCAR-166-2 | 31 +
python/test/data/trigonal/POSCAR-167 | 271 +
python/test/data/trigonal/POSCAR-167-2 | 133 +
python/test/data/trigonal/POSCAR-167-3 | 37 +
python/test/data/virtual_structure/POSCAR-1-221-33 | 55 +
python/test/data/virtual_structure/POSCAR-1-222-33 | 55 +
python/test/data/virtual_structure/POSCAR-1-223-33 | 55 +
python/test/data/virtual_structure/POSCAR-1-224-33 | 55 +
python/test/data/virtual_structure/POSCAR-1-227-73 | 63 +
python/test/data/virtual_structure/POSCAR-1-227-93 | 63 +
python/test/data/virtual_structure/POSCAR-1-227-99 | 63 +
.../data/virtual_structure/POSCAR-1-230-conv-56 | 215 +
.../data/virtual_structure/POSCAR-1-230-prim-33 | 111 +
python/test/data/virtual_structure/POSCAR-1-bcc-33 | 111 +
.../test/data/virtual_structure/POSCAR-10-221-18 | 55 +
.../test/data/virtual_structure/POSCAR-10-223-18 | 55 +
.../test/data/virtual_structure/POSCAR-10-227-50 | 63 +
.../test/data/virtual_structure/POSCAR-102-224-13 | 55 +
.../test/data/virtual_structure/POSCAR-104-222-13 | 55 +
.../test/data/virtual_structure/POSCAR-105-223-13 | 55 +
.../test/data/virtual_structure/POSCAR-109-227-13 | 63 +
.../test/data/virtual_structure/POSCAR-11-227-48 | 63 +
.../data/virtual_structure/POSCAR-110-230-conv-15 | 215 +
.../data/virtual_structure/POSCAR-110-230-prim-13 | 111 +
.../test/data/virtual_structure/POSCAR-111-221-11 | 55 +
.../test/data/virtual_structure/POSCAR-111-224-11 | 55 +
.../test/data/virtual_structure/POSCAR-111-227-66 | 63 +
.../test/data/virtual_structure/POSCAR-112-222-11 | 55 +
.../test/data/virtual_structure/POSCAR-112-223-11 | 55 +
.../test/data/virtual_structure/POSCAR-113-227-68 | 63 +
.../test/data/virtual_structure/POSCAR-115-221-14 | 55 +
.../test/data/virtual_structure/POSCAR-115-223-14 | 55 +
.../test/data/virtual_structure/POSCAR-115-227-33 | 63 +
.../data/virtual_structure/POSCAR-116-230-conv-34 | 215 +
.../data/virtual_structure/POSCAR-117-230-conv-33 | 215 +
.../test/data/virtual_structure/POSCAR-118-222-14 | 55 +
.../test/data/virtual_structure/POSCAR-118-224-14 | 55 +
.../test/data/virtual_structure/POSCAR-12-221-19 | 55 +
.../test/data/virtual_structure/POSCAR-12-224-19 | 55 +
.../test/data/virtual_structure/POSCAR-12-227-21 | 63 +
.../test/data/virtual_structure/POSCAR-12-227-83 | 63 +
.../data/virtual_structure/POSCAR-120-230-conv-16 | 215 +
.../data/virtual_structure/POSCAR-120-230-prim-14 | 111 +
.../data/virtual_structure/POSCAR-122-230-conv-13 | 215 +
.../data/virtual_structure/POSCAR-122-230-prim-11 | 111 +
.../test/data/virtual_structure/POSCAR-123-221-05 | 55 +
.../test/data/virtual_structure/POSCAR-126-222-05 | 55 +
.../test/data/virtual_structure/POSCAR-13-222-18 | 55 +
.../test/data/virtual_structure/POSCAR-13-224-18 | 55 +
.../test/data/virtual_structure/POSCAR-13-227-49 | 63 +
.../data/virtual_structure/POSCAR-13-230-conv-44 | 215 +
.../test/data/virtual_structure/POSCAR-131-223-05 | 55 +
.../test/data/virtual_structure/POSCAR-134-224-05 | 55 +
.../test/data/virtual_structure/POSCAR-14-227-47 | 63 +
.../test/data/virtual_structure/POSCAR-14-227-51 | 63 +
.../data/virtual_structure/POSCAR-14-230-conv-45 | 215 +
.../data/virtual_structure/POSCAR-142-230-conv-05 | 215 +
.../data/virtual_structure/POSCAR-142-230-prim-05 | 111 +
.../test/data/virtual_structure/POSCAR-146-221-27 | 55 +
.../test/data/virtual_structure/POSCAR-146-222-27 | 55 +
.../test/data/virtual_structure/POSCAR-146-223-27 | 55 +
.../test/data/virtual_structure/POSCAR-146-224-27 | 55 +
.../test/data/virtual_structure/POSCAR-146-227-92 | 63 +
.../data/virtual_structure/POSCAR-146-230-conv-36 | 215 +
.../data/virtual_structure/POSCAR-146-230-conv-55 | 215 +
.../data/virtual_structure/POSCAR-146-230-prim-27 | 111 +
.../test/data/virtual_structure/POSCAR-146-bcc-27 | 111 +
.../test/data/virtual_structure/POSCAR-148-221-15 | 55 +
.../test/data/virtual_structure/POSCAR-148-222-15 | 55 +
.../test/data/virtual_structure/POSCAR-148-223-15 | 55 +
.../test/data/virtual_structure/POSCAR-148-224-15 | 55 +
.../test/data/virtual_structure/POSCAR-148-227-70 | 63 +
.../data/virtual_structure/POSCAR-148-230-conv-17 | 215 +
.../data/virtual_structure/POSCAR-148-230-conv-37 | 215 +
.../data/virtual_structure/POSCAR-148-230-prim-15 | 111 +
.../test/data/virtual_structure/POSCAR-148-bcc-15 | 111 +
.../test/data/virtual_structure/POSCAR-15-222-19 | 55 +
.../test/data/virtual_structure/POSCAR-15-223-19 | 55 +
.../data/virtual_structure/POSCAR-15-230-conv-21 | 215 +
.../data/virtual_structure/POSCAR-15-230-conv-22 | 215 +
.../data/virtual_structure/POSCAR-15-230-prim-18 | 111 +
.../data/virtual_structure/POSCAR-15-230-prim-19 | 111 +
.../test/data/virtual_structure/POSCAR-15-bcc-18 | 111 +
.../test/data/virtual_structure/POSCAR-15-bcc-19 | 111 +
.../test/data/virtual_structure/POSCAR-155-221-17 | 55 +
.../test/data/virtual_structure/POSCAR-155-222-17 | 55 +
.../test/data/virtual_structure/POSCAR-155-223-17 | 55 +
.../test/data/virtual_structure/POSCAR-155-224-17 | 55 +
.../test/data/virtual_structure/POSCAR-155-227-72 | 63 +
.../data/virtual_structure/POSCAR-155-230-conv-19 | 215 +
.../data/virtual_structure/POSCAR-155-230-conv-38 | 215 +
.../data/virtual_structure/POSCAR-155-230-prim-17 | 111 +
.../test/data/virtual_structure/POSCAR-155-bcc-17 | 111 +
.../test/data/virtual_structure/POSCAR-16-221-20 | 55 +
.../test/data/virtual_structure/POSCAR-16-222-20 | 55 +
.../test/data/virtual_structure/POSCAR-16-223-20 | 55 +
.../test/data/virtual_structure/POSCAR-16-224-20 | 55 +
.../test/data/virtual_structure/POSCAR-16-227-84 | 63 +
.../test/data/virtual_structure/POSCAR-160-221-16 | 55 +
.../test/data/virtual_structure/POSCAR-160-224-16 | 55 +
.../test/data/virtual_structure/POSCAR-160-227-16 | 63 +
.../test/data/virtual_structure/POSCAR-160-227-71 | 63 +
python/test/data/virtual_structure/POSCAR-160-fcc | 9 +
.../test/data/virtual_structure/POSCAR-161-222-16 | 55 +
.../test/data/virtual_structure/POSCAR-161-223-16 | 55 +
.../data/virtual_structure/POSCAR-161-230-conv-18 | 215 +
.../data/virtual_structure/POSCAR-161-230-prim-16 | 111 +
.../test/data/virtual_structure/POSCAR-161-bcc-16 | 111 +
.../test/data/virtual_structure/POSCAR-166-221-06 | 55 +
.../test/data/virtual_structure/POSCAR-166-224-06 | 55 +
.../test/data/virtual_structure/POSCAR-166-227-06 | 63 +
.../test/data/virtual_structure/POSCAR-166-227-38 | 63 +
.../test/data/virtual_structure/POSCAR-167-222-06 | 55 +
.../test/data/virtual_structure/POSCAR-167-223-06 | 55 +
.../data/virtual_structure/POSCAR-167-230-conv-06 | 215 +
.../data/virtual_structure/POSCAR-167-230-prim-06 | 111 +
.../test/data/virtual_structure/POSCAR-167-bcc-6 | 111 +
.../test/data/virtual_structure/POSCAR-17-227-60 | 63 +
.../test/data/virtual_structure/POSCAR-17-227-85 | 63 +
.../data/virtual_structure/POSCAR-17-230-conv-46 | 215 +
.../test/data/virtual_structure/POSCAR-18-227-86 | 63 +
.../test/data/virtual_structure/POSCAR-19-227-59 | 63 +
.../test/data/virtual_structure/POSCAR-19-227-89 | 63 +
.../data/virtual_structure/POSCAR-19-230-conv-51 | 215 +
.../test/data/virtual_structure/POSCAR-195-221-07 | 55 +
.../test/data/virtual_structure/POSCAR-195-222-07 | 55 +
.../test/data/virtual_structure/POSCAR-195-223-07 | 55 +
.../test/data/virtual_structure/POSCAR-195-224-07 | 55 +
.../test/data/virtual_structure/POSCAR-198-227-40 | 63 +
.../data/virtual_structure/POSCAR-198-230-conv-20 | 215 +
.../data/virtual_structure/POSCAR-199-230-conv-07 | 215 +
.../data/virtual_structure/POSCAR-199-230-prim-07 | 111 +
python/test/data/virtual_structure/POSCAR-2-221-28 | 55 +
python/test/data/virtual_structure/POSCAR-2-222-28 | 55 +
python/test/data/virtual_structure/POSCAR-2-223-28 | 55 +
python/test/data/virtual_structure/POSCAR-2-224-28 | 55 +
python/test/data/virtual_structure/POSCAR-2-227-41 | 63 +
python/test/data/virtual_structure/POSCAR-2-227-74 | 63 +
python/test/data/virtual_structure/POSCAR-2-227-94 | 63 +
.../data/virtual_structure/POSCAR-2-230-conv-39 | 215 +
.../data/virtual_structure/POSCAR-2-230-conv-57 | 215 +
.../data/virtual_structure/POSCAR-2-230-prim-28 | 111 +
python/test/data/virtual_structure/POSCAR-2-bcc-28 | 111 +
.../test/data/virtual_structure/POSCAR-20-227-53 | 63 +
.../test/data/virtual_structure/POSCAR-20-227-90 | 63 +
.../data/virtual_structure/POSCAR-20-230-conv-53 | 215 +
.../test/data/virtual_structure/POSCAR-200-221-02 | 55 +
.../test/data/virtual_structure/POSCAR-200-223-02 | 55 +
.../test/data/virtual_structure/POSCAR-201-222-02 | 55 +
.../test/data/virtual_structure/POSCAR-201-224-02 | 55 +
.../data/virtual_structure/POSCAR-205-230-conv-08 | 215 +
.../data/virtual_structure/POSCAR-206-230-conv-02 | 215 +
.../data/virtual_structure/POSCAR-206-230-prim-02 | 111 +
.../test/data/virtual_structure/POSCAR-207-221-04 | 55 +
.../test/data/virtual_structure/POSCAR-207-222-04 | 55 +
.../test/data/virtual_structure/POSCAR-208-223-04 | 55 +
.../test/data/virtual_structure/POSCAR-208-224-04 | 55 +
.../test/data/virtual_structure/POSCAR-21-221-23 | 55 +
.../test/data/virtual_structure/POSCAR-21-222-23 | 55 +
.../test/data/virtual_structure/POSCAR-21-223-23 | 55 +
.../test/data/virtual_structure/POSCAR-21-224-23 | 55 +
.../data/virtual_structure/POSCAR-21-230-conv-49 | 215 +
.../test/data/virtual_structure/POSCAR-212-227-19 | 63 +
.../data/virtual_structure/POSCAR-213-230-conv-09 | 215 +
.../data/virtual_structure/POSCAR-214-230-conv-04 | 215 +
.../data/virtual_structure/POSCAR-214-230-prim-04 | 111 +
.../test/data/virtual_structure/POSCAR-215-221-03 | 55 +
.../test/data/virtual_structure/POSCAR-215-224-03 | 55 +
.../test/data/virtual_structure/POSCAR-215-227-18 | 63 +
.../test/data/virtual_structure/POSCAR-216-227-03 | 63 +
.../test/data/virtual_structure/POSCAR-218-222-03 | 55 +
.../test/data/virtual_structure/POSCAR-218-223-03 | 55 +
.../data/virtual_structure/POSCAR-22-230-conv-26 | 215 +
.../data/virtual_structure/POSCAR-22-230-prim-23 | 111 +
.../data/virtual_structure/POSCAR-220-230-conv-03 | 215 +
.../data/virtual_structure/POSCAR-220-230-prim-03 | 111 +
.../test/data/virtual_structure/POSCAR-221-221-01 | 55 +
.../test/data/virtual_structure/POSCAR-222-222-01 | 55 +
.../test/data/virtual_structure/POSCAR-223-223-01 | 55 +
.../test/data/virtual_structure/POSCAR-224-224-01 | 55 +
.../test/data/virtual_structure/POSCAR-227-227-01 | 63 +
.../data/virtual_structure/POSCAR-230-230-conv-01 | 215 +
.../data/virtual_structure/POSCAR-230-230-conv-62 | 215 +
.../data/virtual_structure/POSCAR-230-230-prim-01 | 111 +
.../data/virtual_structure/POSCAR-24-230-conv-23 | 215 +
.../data/virtual_structure/POSCAR-24-230-prim-20 | 111 +
.../test/data/virtual_structure/POSCAR-25-221-21 | 55 +
.../test/data/virtual_structure/POSCAR-25-223-21 | 55 +
.../test/data/virtual_structure/POSCAR-25-227-54 | 63 +
.../test/data/virtual_structure/POSCAR-26-227-64 | 63 +
.../data/virtual_structure/POSCAR-27-230-conv-48 | 215 +
.../test/data/virtual_structure/POSCAR-28-227-62 | 63 +
.../data/virtual_structure/POSCAR-29-230-conv-52 | 215 +
python/test/data/virtual_structure/POSCAR-3-221-29 | 55 +
python/test/data/virtual_structure/POSCAR-3-222-29 | 55 +
python/test/data/virtual_structure/POSCAR-3-223-29 | 55 +
python/test/data/virtual_structure/POSCAR-3-224-29 | 55 +
python/test/data/virtual_structure/POSCAR-3-227-82 | 63 +
python/test/data/virtual_structure/POSCAR-3-227-95 | 63 +
.../data/virtual_structure/POSCAR-3-230-conv-58 | 215 +
.../test/data/virtual_structure/POSCAR-30-227-65 | 63 +
.../test/data/virtual_structure/POSCAR-31-227-58 | 63 +
.../data/virtual_structure/POSCAR-32-230-conv-47 | 215 +
.../test/data/virtual_structure/POSCAR-33-227-63 | 63 +
.../test/data/virtual_structure/POSCAR-34-222-21 | 55 +
.../test/data/virtual_structure/POSCAR-34-224-21 | 55 +
.../test/data/virtual_structure/POSCAR-35-221-22 | 55 +
.../test/data/virtual_structure/POSCAR-35-224-22 | 55 +
.../test/data/virtual_structure/POSCAR-35-227-87 | 63 +
.../test/data/virtual_structure/POSCAR-37-222-22 | 55 +
.../test/data/virtual_structure/POSCAR-37-223-22 | 55 +
.../test/data/virtual_structure/POSCAR-38-221-26 | 55 +
.../test/data/virtual_structure/POSCAR-39-224-26 | 55 +
python/test/data/virtual_structure/POSCAR-4-227-77 | 63 +
python/test/data/virtual_structure/POSCAR-4-227-81 | 63 +
python/test/data/virtual_structure/POSCAR-4-227-96 | 63 +
.../data/virtual_structure/POSCAR-4-230-conv-59 | 215 +
.../test/data/virtual_structure/POSCAR-40-223-26 | 55 +
.../test/data/virtual_structure/POSCAR-41-222-26 | 55 +
.../data/virtual_structure/POSCAR-43-230-conv-25 | 215 +
.../data/virtual_structure/POSCAR-43-230-conv-29 | 215 +
.../data/virtual_structure/POSCAR-43-230-prim-22 | 111 +
.../data/virtual_structure/POSCAR-43-230-prim-26 | 111 +
.../test/data/virtual_structure/POSCAR-43-bcc-22 | 111 +
.../test/data/virtual_structure/POSCAR-43-bcc-26 | 111 +
.../test/data/virtual_structure/POSCAR-44-227-24 | 63 +
.../data/virtual_structure/POSCAR-45-230-conv-24 | 215 +
.../data/virtual_structure/POSCAR-45-230-prim-21 | 111 +
.../test/data/virtual_structure/POSCAR-46-227-28 | 63 +
.../test/data/virtual_structure/POSCAR-47-221-08 | 55 +
.../test/data/virtual_structure/POSCAR-47-223-08 | 55 +
.../test/data/virtual_structure/POSCAR-48-222-08 | 55 +
.../test/data/virtual_structure/POSCAR-48-224-08 | 55 +
python/test/data/virtual_structure/POSCAR-5-221-32 | 55 +
python/test/data/virtual_structure/POSCAR-5-222-32 | 55 +
python/test/data/virtual_structure/POSCAR-5-223-32 | 55 +
python/test/data/virtual_structure/POSCAR-5-224-32 | 55 +
python/test/data/virtual_structure/POSCAR-5-227-45 | 63 +
python/test/data/virtual_structure/POSCAR-5-227-75 | 63 +
python/test/data/virtual_structure/POSCAR-5-227-98 | 63 +
.../data/virtual_structure/POSCAR-5-230-conv-40 | 215 +
.../data/virtual_structure/POSCAR-5-230-conv-43 | 215 +
.../data/virtual_structure/POSCAR-5-230-conv-61 | 215 +
.../data/virtual_structure/POSCAR-5-230-prim-29 | 111 +
.../data/virtual_structure/POSCAR-5-230-prim-32 | 111 +
python/test/data/virtual_structure/POSCAR-5-bcc-29 | 111 +
python/test/data/virtual_structure/POSCAR-5-bcc-32 | 111 +
.../test/data/virtual_structure/POSCAR-51-227-29 | 63 +
.../test/data/virtual_structure/POSCAR-53-227-32 | 63 +
.../data/virtual_structure/POSCAR-54-230-conv-30 | 215 +
python/test/data/virtual_structure/POSCAR-6-221-30 | 55 +
python/test/data/virtual_structure/POSCAR-6-223-30 | 55 +
python/test/data/virtual_structure/POSCAR-6-227-79 | 63 +
.../data/virtual_structure/POSCAR-61-230-conv-31 | 215 +
.../test/data/virtual_structure/POSCAR-62-227-31 | 63 +
.../test/data/virtual_structure/POSCAR-65-221-09 | 55 +
.../test/data/virtual_structure/POSCAR-66-223-09 | 55 +
.../test/data/virtual_structure/POSCAR-67-224-09 | 55 +
.../test/data/virtual_structure/POSCAR-68-222-09 | 55 +
python/test/data/virtual_structure/POSCAR-7-222-30 | 55 +
python/test/data/virtual_structure/POSCAR-7-224-30 | 55 +
python/test/data/virtual_structure/POSCAR-7-227-78 | 63 +
python/test/data/virtual_structure/POSCAR-7-227-80 | 63 +
.../data/virtual_structure/POSCAR-7-230-conv-60 | 215 +
.../data/virtual_structure/POSCAR-70-230-conv-11 | 215 +
.../data/virtual_structure/POSCAR-70-230-prim-09 | 111 +
python/test/data/virtual_structure/POSCAR-70-bcc-9 | 111 +
.../data/virtual_structure/POSCAR-73-230-conv-10 | 215 +
.../data/virtual_structure/POSCAR-73-230-prim-08 | 111 +
.../test/data/virtual_structure/POSCAR-74-227-09 | 63 +
.../test/data/virtual_structure/POSCAR-75-221-25 | 55 +
.../test/data/virtual_structure/POSCAR-75-222-25 | 55 +
.../test/data/virtual_structure/POSCAR-76-227-61 | 63 +
.../test/data/virtual_structure/POSCAR-77-223-25 | 55 +
.../test/data/virtual_structure/POSCAR-77-224-25 | 55 +
.../test/data/virtual_structure/POSCAR-78-227-91 | 63 +
.../data/virtual_structure/POSCAR-78-230-conv-54 | 215 +
python/test/data/virtual_structure/POSCAR-8-221-31 | 55 +
python/test/data/virtual_structure/POSCAR-8-224-31 | 55 +
python/test/data/virtual_structure/POSCAR-8-227-44 | 63 +
python/test/data/virtual_structure/POSCAR-8-227-97 | 63 +
.../data/virtual_structure/POSCAR-80-230-conv-28 | 215 +
.../data/virtual_structure/POSCAR-80-230-prim-25 | 111 +
.../test/data/virtual_structure/POSCAR-81-221-24 | 55 +
.../test/data/virtual_structure/POSCAR-81-222-24 | 55 +
.../test/data/virtual_structure/POSCAR-81-223-24 | 55 +
.../test/data/virtual_structure/POSCAR-81-224-24 | 55 +
.../test/data/virtual_structure/POSCAR-81-227-88 | 63 +
.../data/virtual_structure/POSCAR-81-230-conv-50 | 215 +
.../data/virtual_structure/POSCAR-82-230-conv-27 | 215 +
.../data/virtual_structure/POSCAR-82-230-prim-24 | 111 +
.../test/data/virtual_structure/POSCAR-83-221-10 | 55 +
.../test/data/virtual_structure/POSCAR-84-223-10 | 55 +
.../test/data/virtual_structure/POSCAR-85-222-10 | 55 +
.../test/data/virtual_structure/POSCAR-86-224-10 | 55 +
.../data/virtual_structure/POSCAR-88-230-conv-12 | 215 +
.../data/virtual_structure/POSCAR-88-230-prim-10 | 111 +
.../test/data/virtual_structure/POSCAR-89-221-12 | 55 +
.../test/data/virtual_structure/POSCAR-89-222-12 | 55 +
python/test/data/virtual_structure/POSCAR-9-222-31 | 55 +
python/test/data/virtual_structure/POSCAR-9-223-31 | 55 +
python/test/data/virtual_structure/POSCAR-9-227-43 | 63 +
.../data/virtual_structure/POSCAR-9-230-conv-41 | 215 +
.../data/virtual_structure/POSCAR-9-230-conv-42 | 215 +
.../data/virtual_structure/POSCAR-9-230-prim-30 | 111 +
.../data/virtual_structure/POSCAR-9-230-prim-31 | 111 +
python/test/data/virtual_structure/POSCAR-9-bcc-30 | 111 +
python/test/data/virtual_structure/POSCAR-9-bcc-31 | 111 +
.../test/data/virtual_structure/POSCAR-91-227-67 | 63 +
.../test/data/virtual_structure/POSCAR-92-227-35 | 63 +
.../data/virtual_structure/POSCAR-92-230-conv-35 | 215 +
.../test/data/virtual_structure/POSCAR-93-223-12 | 55 +
.../test/data/virtual_structure/POSCAR-93-224-12 | 55 +
.../test/data/virtual_structure/POSCAR-95-227-36 | 63 +
.../data/virtual_structure/POSCAR-95-230-conv-32 | 215 +
.../test/data/virtual_structure/POSCAR-96-227-69 | 63 +
.../data/virtual_structure/POSCAR-98-230-conv-14 | 215 +
.../data/virtual_structure/POSCAR-98-230-prim-12 | 111 +
.../test/data/virtual_structure/POSCAR-99-221-13 | 55 +
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 +
ruby/README | 10 +
ruby/extconf.rb | 9 +
ruby/getspg.c | 367 +
ruby/poscar.rb | 334 +
ruby/poscar2findsym.rb | 354 +
ruby/symPoscar.rb | 328 +
src/Makefile.am | 56 +
src/arithmetic.c | 159 +
src/arithmetic.h | 40 +
src/cell.c | 491 ++
src/cell.h | 73 +
src/debug.c | 71 +
src/debug.h | 67 +
src/delaunay.c | 402 +
src/delaunay.h | 48 +
src/determination.c | 182 +
src/determination.h | 55 +
src/hall_symbol.c | 2284 ++++++
src/hall_symbol.h | 49 +
src/kgrid.c | 154 +
src/kgrid.h | 81 +
src/kpoint.c | 763 ++
src/kpoint.h | 77 +
src/mathfunc.c | 506 ++
src/mathfunc.h | 122 +
src/niggli.c | 465 ++
src/niggli.h | 47 +
src/pointgroup.c | 1308 +++
src/pointgroup.h | 81 +
src/primitive.c | 690 ++
src/primitive.h | 57 +
src/refinement.c | 1272 +++
src/refinement.h | 58 +
src/site_symmetry.c | 423 +
src/site_symmetry.h | 49 +
src/sitesym_database.c | 1185 +++
src/sitesym_database.h | 43 +
src/spacegroup.c | 1423 ++++
src/spacegroup.h | 84 +
src/spg_database.c | 8614 ++++++++++++++++++++
src/spg_database.h | 58 +
src/spglib.c | 1939 +++++
src/spglib.h | 484 ++
src/spglib_f.c | 237 +
src/spin.c | 275 +
src/spin.h | 48 +
src/symmetry.c | 971 +++
src/symmetry.h | 68 +
src/test.c | 1001 +++
src/tetrahedron_method.c | 1091 +++
src/tetrahedron_method.h | 62 +
src/version.h | 43 +
899 files changed, 127450 insertions(+)
--
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