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Commits on Aug 28, 2024

• python: change SpaceGroup.__eq__

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Commits on Aug 8, 2024

• tests/test_symmetry.py: one more test

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Commits on May 6, 2024

• add test for SpaceGroup::monoclinic_unique_axis()

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Commits on Apr 30, 2024

• space groups: add more monoclinic settings: F2, Fd, F2/m

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Commits on Apr 26, 2024

• symmetry operation triplets: allow decimal fractions

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Commits on Apr 24, 2024

• tests: test parsing of all spacegroup names from PLATON manual

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Commits on Apr 16, 2024

• TNT reciprocal space ASU: it's NOT wrt standard settings

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Commits on Mar 5, 2023

• avoid pytype errors

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Commits on Feb 3, 2023

• added SpaceGroup::change_of_hand_op()

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Commits on Jun 6, 2022

• Op::triplet(): add option style (to output a,b,c or h,k,l)

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Commits on Jun 1, 2022

• fix tests

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Commits on May 27, 2022

• docs and one more test

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Commits on May 26, 2022

• add SpaceGroup::is_centrosymmetric()

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• renamed GroupOps::is_centric() to is_centrosymmetric()

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• added GroupOps::derive_symmorphic()

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Commits on May 14, 2022

• add Op::rot_type() that returns N for N-fold rotation

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Commits on Mar 10, 2022

• one more test for seitz_to_op()

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Commits on Mar 9, 2022

• add function seitz_to_op() - project-gemmi#191

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Commits on Sep 20, 2021

• replace change_basis() function with *_forward() and *_backward() variants

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• store centred_to_primitive matrix instead of its inverse

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Commits on Sep 13, 2021

• python bindings to SpaceGroup::centring_type()

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Commits on Sep 3, 2021

• centred_to_primitive_inv()

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• find_spacegroup_by_name(): consistent handling of leading spaces

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Commits on Jul 20, 2021

• SpaceGroup::is_symmorphic()

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Commits on Jun 25, 2021

• Op::triplet(): write "x/3" instead of 1/3*x

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• simplify Op::triplet()

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• parse triplets such as "h/2+k/2, -h/2+k/2, l"

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Commits on Feb 22, 2021

• pickling test: use protocol=pickle.HIGHEST_PROTOCOL

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• Add pickling support to SpaceGroup and UnitCell

  

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Commits on Jan 28, 2021

• python: don't make std::vector<Op::Tran> opaque

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• run sphinx doctest on CI

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Commits on Jan 27, 2021

• refactor FloodFill to avoid conversion warnings from MSVC

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Commits on Jul 21, 2020

• epsilon_factor() now takes centering vectors into account

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Commits on Jul 1, 2020

• ReciprocalAsu::to_asu()

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Commits on Jun 26, 2020

• systematic absences

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