kim-tools 0.3.6__py3-none-any.whl → 0.4.2__py3-none-any.whl
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- kim_tools/__init__.py +1 -1
- kim_tools/aflow_util/core.py +81 -27
- kim_tools/ase/core.py +122 -33
- kim_tools/kimunits.py +26 -10
- kim_tools/symmetry_util/core.py +276 -102
- kim_tools/symmetry_util/data/elast_cubic.svg +105 -0
- kim_tools/symmetry_util/data/elast_hexagonal.svg +105 -0
- kim_tools/symmetry_util/data/elast_monoclinic.svg +108 -0
- kim_tools/symmetry_util/data/elast_orthorhombic.svg +96 -0
- kim_tools/symmetry_util/data/elast_tetragonal_4_slash_m.svg +114 -0
- kim_tools/symmetry_util/data/elast_tetragonal_4_slash_mmm.svg +105 -0
- kim_tools/symmetry_util/data/elast_triclinic.svg +132 -0
- kim_tools/symmetry_util/data/elast_trigonal_3bar.svg +129 -0
- kim_tools/symmetry_util/data/elast_trigonal_3bar_m_2nd_pos.svg +117 -0
- kim_tools/symmetry_util/data/elast_trigonal_3bar_m_3rd_pos.svg +117 -0
- kim_tools/symmetry_util/elasticity.py +390 -0
- kim_tools/test_driver/core.py +436 -80
- {kim_tools-0.3.6.dist-info → kim_tools-0.4.2.dist-info}/METADATA +3 -2
- {kim_tools-0.3.6.dist-info → kim_tools-0.4.2.dist-info}/RECORD +22 -11
- {kim_tools-0.3.6.dist-info → kim_tools-0.4.2.dist-info}/WHEEL +0 -0
- {kim_tools-0.3.6.dist-info → kim_tools-0.4.2.dist-info}/licenses/LICENSE.CDDL +0 -0
- {kim_tools-0.3.6.dist-info → kim_tools-0.4.2.dist-info}/top_level.txt +0 -0
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@@ -1,8 +1,8 @@
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Metadata-Version: 2.4
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Name: kim-tools
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Version: 0.
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Version: 0.4.2
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Summary: Base classes and helper routines for writing KIM Tests
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Author-email: ilia Nikiforov <nikif002@umn.edu>, Ellad Tadmor <tadmor@umn.edu>, Claire Waters <bwaters@umn.edu>, "Daniel S. Karls" <karl0100umn@gmail.com>, Matt Bierbaum <matt.bierbaum@gmail.com>, Eric Fuemmeler <efuemmel@umn.edu>, Philipp Hoellmer <ph2484@nyu.edu>, Guanming Zhang <gz2241@nyu.edu>, Tom Egg <tje3676@nyu.edu>
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Author-email: ilia Nikiforov <nikif002@umn.edu>, Ellad Tadmor <tadmor@umn.edu>, Claire Waters <bwaters@umn.edu>, "Daniel S. Karls" <karl0100umn@gmail.com>, Matt Bierbaum <matt.bierbaum@gmail.com>, Eric Fuemmeler <efuemmel@umn.edu>, Philipp Hoellmer <ph2484@nyu.edu>, Guanming Zhang <gz2241@nyu.edu>, Tom Egg <tje3676@nyu.edu>, Navaneeth Mohan <mohan227@umn.edu>
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Maintainer-email: ilia Nikiforov <nikif002@umn.edu>
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Project-URL: Homepage, https://kim-tools.readthedocs.io
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Project-URL: Issues, https://github.com/openkim/kim-tools/issues
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@@ -35,6 +35,7 @@ Dynamic: license-file
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[](https://github.com/openkim/kim-tools/actions/workflows/testing.yml)
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[](https://kim-tools.readthedocs.io/en/latest/)
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[](https://pypi.org/project/kim-tools/)
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[](https://codecov.io/gh/openkim/kim-tools)
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KIMTestDriver and SingleCrystalTestDriver classes for creating OpenKIM Test Drivers, and helper routines for writing
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KIM Tests and Verification Checks. Documentation at https://kim-tools.readthedocs.io.
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kim_tools/__init__.py,sha256=
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kim_tools/kimunits.py,sha256=
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kim_tools/__init__.py,sha256=ATvBQMEr5NBWxGzIDxLFJxMZIXTwxIx5RVS5-OO4H98,433
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kim_tools/kimunits.py,sha256=aCouh7z6fQDR1rcbRTO72l-_RuccuznrKrNF18F-cEQ,6076
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kim_tools/aflow_util/__init__.py,sha256=lJnQ8fZCma80QVRQeKvY4MQ87oCWu-9KATV3dKJfpDc,80
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kim_tools/aflow_util/core.py,sha256=
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kim_tools/aflow_util/core.py,sha256=OmU4-m2jl81jfs0ni4bSECpC8GYt7-hEEH7cfKmrdoM,80886
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kim_tools/aflow_util/aflow_prototype_encyclopedia/data/A108B24C11D24_cP334_222_h4i_i_bf_i-001/info.json,sha256=IsFiO9X2Ko7yoq2QkDurUVP7k1BE4WFgblu7oxl6iZs,2013
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kim_tools/aflow_util/aflow_prototype_encyclopedia/data/A10B11_tI84_139_dehim_eh2n-001/info.json,sha256=f1EdtouuSL2y9NNw40Rvz2J9ZZcsqQBcyEmlHj6XoW8,1186
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kim_tools/aflow_util/aflow_prototype_encyclopedia/data/A10B2C_hP39_171_5c_c_a-001/info.json,sha256=vD1xjZKWShL0E6XNsSlmIhilGcGNefl56oQDLQlHO1M,1596
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kim_tools/aflow_util/aflow_prototype_encyclopedia/data/A_tP4_136_f-001/info.json,sha256=5_xlFGOov7VoFwzhp7JtltRnWiAFfgpwF5qc3kMSAjQ,1278
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kim_tools/aflow_util/aflow_prototype_encyclopedia/data/A_tP50_134_a2m2n-001/info.json,sha256=K601zsKLpvPLIaK17bEiNGIQJYJDvIby1lIJ3P9Ze6E,1258
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kim_tools/ase/__init__.py,sha256=1i6ko5tNr0VZC3T7hoEzq4fnSU0DdxNpxXcSaWMcJWc,76
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kim_tools/ase/core.py,sha256=
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kim_tools/ase/core.py,sha256=umJY0LV3_zrEZLOXAFoz6AFigxA69sAOBzAGoBTDzxA,34335
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kim_tools/symmetry_util/__init__.py,sha256=uu-ZSUDUTe2P81rkAS3tXverx31s_uZ3wL4SD_dn5aI,86
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kim_tools/symmetry_util/core.py,sha256=
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kim_tools/symmetry_util/core.py,sha256=y9LGnUYxWE5e5KMxzM96t_UzrC-B_aT3XnntW8p_jRA,41392
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kim_tools/symmetry_util/elasticity.py,sha256=VxJ8wUcsSOPyJ8id6OpKmVlRAbIUIWxtzYJtkvVJIVs,13328
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2009
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kim_tools/symmetry_util/data/elast_cubic.svg,sha256=UpN4XcoLoOwv8a7KE0WyINkSH5AU2DPVZ08eGQf-Cds,8953
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kim_tools/symmetry_util/data/elast_hexagonal.svg,sha256=wOkw5IO3fZy039tLHhvtwrkatVYs5XzigUormLKtRlw,8705
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2011
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kim_tools/symmetry_util/data/elast_monoclinic.svg,sha256=71zWo1ClStyVbM8KHLU-bEU1m7itJScFnsqIY7tHTuw,10555
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kim_tools/symmetry_util/data/elast_orthorhombic.svg,sha256=J-1rLi0JpBpHo0sD6gQcdO7CPZaYbuA6DUY6hMRqEcE,8197
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kim_tools/symmetry_util/data/elast_tetragonal_4_slash_m.svg,sha256=sBdXu0e0uqnglAyBJNoA-B7bllfp7_c9MiT7aCPNh0I,10321
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kim_tools/symmetry_util/data/elast_tetragonal_4_slash_mmm.svg,sha256=1oXCrWYqVhQetgcCNoGp-ypDgCyyugZ2023Evk417vI,8902
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kim_tools/symmetry_util/data/elast_triclinic.svg,sha256=9LGE6FLvYJ-4-M3c1BciasVkEu4eXo9jjeggJ8FJSIo,15269
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kim_tools/symmetry_util/data/elast_trigonal_3bar.svg,sha256=3gVsl_bRryw6hJRG7H_UTRDCWprcDhKfMXr7uQ5LDV4,12771
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kim_tools/symmetry_util/data/elast_trigonal_3bar_m_2nd_pos.svg,sha256=2kzOIKZPbQbGMwDzmlBs5pMg9EfrNZ7EV4ihnTiExz0,10738
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kim_tools/symmetry_util/data/elast_trigonal_3bar_m_3rd_pos.svg,sha256=pN8ov9-AQ2jYGoMZj5BrhLlYW2G-O6d5woz93H4K5Hc,10738
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kim_tools/symmetry_util/data/possible_primitive_shifts.json,sha256=4OVNgn3NnykgGlYiAcecERmVWiIZFrmP2LZI3ml_Sh0,25010
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kim_tools/symmetry_util/data/primitive_GENPOS_ops.json,sha256=FDu4H4PosOpK9yKwOPy3SxbH7xLMOmZfKZ4ItKPMjoQ,224498
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kim_tools/symmetry_util/data/space_groups_for_each_bravais_lattice.json,sha256=wSNu6d5pH72lJ6Zj5MZ64qzwS_6Fn5WOs0ts7E9uPC4,2507
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kim_tools/symmetry_util/data/wyckoff_multiplicities.json,sha256=qG2RPBd_-ejDIfz-E4ZhkHyRpIboxRy7oiXkdDf5Eg8,32270
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kim_tools/symmetry_util/data/wyckoff_sets.json,sha256=f5ZpHKDHo6_JWki1b7KUGoYLlhU-44Qikw_-PtbLssw,9248
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kim_tools/test_driver/__init__.py,sha256=KOiceeZNqkfrgZ66CiRiUdniceDrCmmDXQkOw0wXaCQ,92
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kim_tools/test_driver/core.py,sha256=
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kim_tools/test_driver/core.py,sha256=ugPL_wDzKwT7ch7Xh6SFMCLTF1Qf8x405HqcGJ29fd4,106587
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kim_tools/vc/__init__.py,sha256=zXjhxXCKVMLBMXXWYG3if7VOpBnsFrn_RjVpnohDm5c,74
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kim_tools/vc/core.py,sha256=BIjzEExnQAL2S90a_npptRm3ACqAo4fZBtvTDBMWMdw,13963
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kim_tools-0.
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kim_tools-0.
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kim_tools-0.
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kim_tools-0.4.2.dist-info/licenses/LICENSE.CDDL,sha256=I2luEED_SHjuZ01B4rYG-AF_135amL24JpHvZ1Jhqe8,16373
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kim_tools-0.4.2.dist-info/METADATA,sha256=dCmTQkNmZhR6y-2GtlwbgMnFMh14kgKgTlkvGL4UHpw,2196
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kim_tools-0.4.2.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
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kim_tools-0.4.2.dist-info/top_level.txt,sha256=w_YCpJ5ERigj9te74ln7k64tqj1VumOzM_s9dsalIWY,10
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kim_tools-0.4.2.dist-info/RECORD,,
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