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Adapters now also return lattice information for structures that are periodic in 1 or 2 dimensions. #1233

Merged
merged 8 commits into from
Aug 27, 2022
Merged

Adapters now also return lattice information for structures that are periodic in 1 or 2 dimensions. #1233

merged 8 commits into from
Aug 27, 2022

Commits on Jun 8, 2022

  1. 1. Fixed bug so the fractional coordinates used to check the fraction… 

    …al_coordinates function are generated correctly. 2. Added support to the cif, pymatgen and proteindatabank adapters for generating lattice data for structures that are not periodic in all three dimensions.
    @JPBergsma
    JPBergsma committed Jun 8, 2022
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  2. Merge branch 'master' into JPBergsma/return_2d_lattice

    @JPBergsma
    JPBergsma committed Jun 8, 2022
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Commits on Jun 9, 2022

  1. Generated new openapi files after updating dependencies

    @JPBergsma
    JPBergsma committed Jun 9, 2022
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  2. Use numpy.linalg.norm instead of math.hypot as math.hypot does not wo… 

    …rk under python 3.7. Also nperiodic_dimensions is now calculated in the function null_lattice_vector_structure.
    @JPBergsma
    JPBergsma committed Jun 9, 2022
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Commits on Jul 6, 2022

  1. Merge branch 'master' into JPBergsma/return_2d_lattice

    @ml-evs
    ml-evs committed Jul 6, 2022
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Commits on Aug 12, 2022

  1. Merge branch 'master' into JPBergsma/return_2d_lattice

    @ml-evs
    ml-evs committed Aug 12, 2022
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Commits on Aug 26, 2022

  1. Added support for structures that are not periodic in all three spati… 

    …al dimensions.
    @JPBergsma
    JPBergsma committed Aug 26, 2022
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  2. Merge branch 'master' into JPBergsma/return_2d_lattice

    @ml-evs
    ml-evs committed Aug 26, 2022
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