Code

Update energy tests#11

Code

Merged

jthorton merged 10 commits intojthorton:mainjthorton/de-forcefields:mainfrom mattwthompson:energy-testsmattwthompson/de-forcefields:energy-testsCopy head branch name to clipboardMar 8, 2024

+173-9

Commits

Commits on Feb 24, 2023

• add openmm energy tests

  jthorton

  committed
  1505a46

• use smirnoff-main

  jthorton

  committed
  6388f10

• use smirnoff-plugins main

  jthorton

  committed
  3af70a8

• regenerate reference energies using rdkit positions

  jthorton

  committed
  c72541e

• update smirnoff-plugins version

  jthorton

  committed
  085594a

• trigger CI

  jthorton

  committed
  8bd6f10

• Revert "trigger CI"

  Show description for 009ace0
  jthorton

  committed
  009ace0

Commits on Mar 5, 2024

• Merge branch 'main' into test_simulation

  Show description for 6551ec4
  jthorton

  committed
  6551ec4

Commits on Mar 8, 2024

• Update energy tests

  mattwthompson

  committed
  050409e

• Parametrize over distances

  mattwthompson

  committed
  c9e2fbd