Code

Mol fix and xyz#529

Code

Merged

jthorton merged 16 commits intomasteropenforcefield/openff-toolkit:masterfrom mol_fix_and_xyzopenforcefield/openff-toolkit:mol_fix_and_xyzCopy head branch name to clipboardMar 3, 2020

+477-83

Commits

Commits on Feb 25, 2020

• add xyz file support.

  

  joshhorton

  committed
  6d77554

• add xyz file support.

  

  joshhorton

  committed
  eadfaa8

• adding tests for xyz support and add Fix for #523

  

  joshhorton

  committed
  5d3c1cf

Commits on Feb 26, 2020

• finished test for xyz support.

  

  joshhorton

  committed
  1696949

• add import workaround.

  

  joshhorton

  committed
  b27b45b

Commits on Feb 27, 2020

• change to class variables to instance variables and set them in the init.

  

  joshhorton

  committed
  1a93a08

• testing fix.

  

  joshhorton

  committed
  14c30fe

Commits on Feb 28, 2020

• Isomorphic checking speed improvments.

  

  joshhorton

  committed
  53e7e95

• Merge branch 'master' of https://github.com/openforcefield/openforcefield into mol_fix_and_xyz

  

  joshhorton

  committed
  32ef7f3

• moved to use instance attrs instead of class

  

  joshhorton

  committed
  b6b277b

• moved to use instance attrs instead of class

  

  joshhorton

  committed
  e2e0567

• moved to use instance attrs instead of class

  

  joshhorton

  committed
  2260533

• Fix tests to use the new toolkit init.

  

  joshhorton

  committed
  0db4b7e

Commits on Mar 2, 2020

• updated the release log.

  

  joshhorton

  committed
  d3b5e0c

• updated the release log.

  

  joshhorton

  committed
  39ffbc3

Commits on Mar 3, 2020

• suggested changes added.

  

  joshhorton

  committed
  617d00f