Code

Fix issue #196#197

Code

Merged

lohedges merged 5 commits intodevelOpenBioSim/biosimspace:develfrom fix_196OpenBioSim/biosimspace:fix_196Copy head branch name to clipboardNov 8, 2023

+67-25

Commits

Commits on Nov 7, 2023

• Handle multiple velocity properties per molecule. [closes #196]

  lohedges

  committed
  7d35a09

  Copy full SHA for 7d35a09

• Can now use inequality operator.

  lohedges

  committed
  946c009

  Copy full SHA for 946c009

• Add test for property preservation during water topology swap.

  Show description for cc40607
  lohedges

  committed
  cc40607

  Copy full SHA for cc40607

• Only try to remove perturbable velocities if they are present.

  lohedges

  committed
  ae1be67

  Copy full SHA for ae1be67

Commits on Nov 8, 2023

• Fix parameterisation function used for crystal waters. [ci skip]

  lohedges

  committed
  9ca43e4

  Copy full SHA for 9ca43e4