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[WIP] magnetic spacegroup analyzer #2049

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[WIP] magnetic spacegroup analyzer #2049

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6768104
Added class mCifWriter in pymatgen.io.cif
mt-huebsch May 22, 2019
21718bb
Added ApplyMagSymmOpTransformation and MagSpaceGroupAnalyzer
mt-huebsch May 23, 2019
ba0bfb7
Minimal version of pymatgen.symmetry.analyzer.MagneticSpaceGroupAnaly…
mt-huebsch Jul 24, 2019
44fba51
pymatgen.symmetry : Map of magnetic space group to magnetic point gro…
mt-huebsch Jul 24, 2019
a7ace6b
Reverted changes of pymatgen.io.cif to delete mCifWriter. Implementat…
mt-huebsch Jul 24, 2019
f479557
Added doc to pymatgen.transformations.standard_transformations.ApplyM…
mt-huebsch Jul 24, 2019
9e4c5e4
Merge branch 'writemcif'
mt-huebsch Jul 24, 2019
5faacdd
Merged upstream/master fixed conflict.
mt-huebsch Jan 28, 2021
bb5ef8b
In MagneticSpacegroupAnalyzer replaced _same_struc with _same_Magneti…
mt-huebsch Jan 29, 2021
29d4513
>back to unit cell< in ApplyMagSymmOpTransformation.apply_transformat…
mt-huebsch Jan 30, 2021
434b1f2
Introduced primitive flag in get_paramag_symmetry_operations() to be …
mt-huebsch Jan 30, 2021
1194915
Implemented search4MagneticSpacegroup to replace brows4MagneticSpaceG…
mt-huebsch Jan 30, 2021
fa5e84b
Messed up! Cannot find mspg. Must revert.
mt-huebsch Jan 31, 2021
b8c6dff
Tested Ca3MnCoO6 (entry 0.13 on MAGNDATA) and first could not find an…
mt-huebsch Feb 1, 2021
c1ebcb1
Speed up. In _search4MagneticSpaceGroup the order of all magnetic spa…
mt-huebsch Feb 1, 2021
4f88681
Speed up! Computing magnetic domains is now optional by calling Magne…
mt-huebsch Feb 1, 2021
4882c1c
Minor changes and clean up. Removed unnecessary imports, moved symmet…
mt-huebsch Feb 2, 2021
7a95c5a
Changes to comply pymatgen's pycodestyle.
mt-huebsch Feb 2, 2021
92da4a6
Complying pymatgen's pycodestyle.
mt-huebsch Feb 2, 2021
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