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Releases: m3g/ComplexMixtures.jl

v2.1.9

11 Apr 12:39
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ComplexMixtures v2.1.9

Diff since v2.1.8

  • improve error message of bulk_range defaults
  • use kwargs in progress meter of grid3d to avoid warning of deprecation

v2.1.8

08 Apr 16:48
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ComplexMixtures v2.1.8

Diff since v2.1.7

  • small doc updates.

v2.1.7

08 Apr 13:16
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  • Update docs.

Full Changelog: v2.1.7...v2.1.7+docs1

v1.4.2

08 Apr 12:59
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ComplexMixtures v1.4.2

Diff since v1.4.1

  • Restore compatibility with Julia 1.6
  • Add warning for using an outdated version of ComplexMixtures.

v2.1.7

03 Apr 12:50
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ComplexMixtures v2.1.7

Diff since v2.1.6

  • Improved documentation for the grid3D function.

v2.1.6

02 Apr 19:57
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ComplexMixtures v2.1.6

Diff since v2.1.5

  • fix and parallelize grid3D function

v2.1.5

02 Apr 17:12
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ComplexMixtures v2.1.5

Diff since v2.1.4

  • support SVector in Solute/Solvent group constructors.
  • fix indexing of very large PDB files in grid3D

v2.1.4

27 Mar 15:25
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  • some formatting of the docs

v2.1.4

26 Mar 13:51
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ComplexMixtures v2.1.4

Diff since v2.1.3

  • Sort indices of custom groups for faster searching. Improves somewhat the performance for large custom groups.

v2.1.3

25 Mar 15:56
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ComplexMixtures v2.1.3

Diff since v2.1.2

  • local storage of parallel buffers: improvements in thread locality and memory management