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Releases: chrisjsewell/ejplugins

include license in sdist

28 Feb 18:41
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v0.11.1

include license in sdist

remove top-level imports

27 Feb 20:14
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v0.11.0

remove top-level imports

made Pymatgen and ASE optional dependencies

27 Feb 19:22
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v0.10.0

fix optional dependencies

CRYSTAL: added symmetry operation parsing

28 Aug 22:48
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v0.9.7

crystal: added symmetry operation parsing

Corrected cell vector association (with primitive not crystallograpic)

27 Aug 06:34
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v0.9.6

corrected cell vector association (with primitive not crystallograpic)

Encode_SymmOp bug fix

02 Jul 20:40
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v0.9.5

Encode_SymmOp bug fix

added Encode_SymmOp

02 Jul 20:13
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v0.9.4

added Encode_SymmOp

added allow_other_keys=True for pymatgen decoder

02 Jul 17:24
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v0.9.3

added allow_other_keys for pymatgen decoder

Minor improvements

21 Jun 14:08
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  • Pymatgen decoder: altered decoder to handle Slabs and output a more streamlined str
  • CRYSTAL parser: bug fix for if an optimisation step fails

Crystal Output Validation; removed requirements not met by non-spin calculations

03 Jun 10:54
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v0.9.1

Crystal Output Validation; removed requirements not met by non-spin c…