Code

Calculate and render dipole moments#1801

Code

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ghutchis merged 16 commits intoOpenChemistry:masterOpenChemistry/avogadrolibs:masterfrom ghutchis:add-dipole-momentsghutchis/avogadrolibs:add-dipole-momentsCopy head branch name to clipboardNov 20, 2024

+559-157

Commits

Commits on Oct 17, 2024

• Add methods to calculate dipole moments from charge models

  Show description for c90c2b6
  ghutchis

  committed
  c90c2b6

Commits on Nov 9, 2024

• Merge branch 'master' of github.com:openchemistry/avogadrolibs into add-dipole-moments

  Show description for b7fa85e
  ghutchis

  committed
  b7fa85e

Commits on Nov 19, 2024

• Add support for calculating dipole moments

  Show description for c018574
  ghutchis

  committed
  c018574

• Add support for changing the color of arrows

  Show description for 610970b
  ghutchis

  committed
  610970b

• Add specialization for a Vector3 like dipole moment

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  ghutchis

  committed
  5088eca

• Add an initial dipole moment rendering - updates every 0.5s

  Show description for 842686b
  ghutchis

  committed
  842686b

• Merge branch 'master' of github.com:openchemistry/avogadrolibs into add-dipole-moments

  Show description for 4f4a03d
  ghutchis

  committed
  4f4a03d

• Add Dipole Moment to the layer names for translation

  Show description for 327f38a
  ghutchis

  committed
  327f38a

• Fix comment documentation

  Show description for c1f7481
  ghutchis

  committed
  c1f7481

• Generally works now for organic molecules using MMFF94

  Show description for 6af4de0
  ghutchis

  committed
  6af4de0

• Remove UFF files - shouldn't have been committed yet

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  ghutchis

  committed
  adee243

• Fix Codacy warning about initializer

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  ghutchis

  committed
  7aa46e3

Commits on Nov 20, 2024

• Add support for reading dipole moments from fchk / orca

  Show description for 13d03c8
  ghutchis

  committed
  13d03c8

• Fix compile and get property to work

  Show description for f593562
  ghutchis

  committed
  f593562

• Fix variant unit tests

  Show description for 31d2362
  ghutchis

  committed
  31d2362

• Fix variant debugging strings

  Show description for 815e30b
  ghutchis

  committed
  815e30b