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openmm / openmm-plumed

OpenMM plugin to interface with PLUMED
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Use CustomCPPForceImpl to simplify code #70

Closed peastman closed 7 months ago

peastman commented 9 months ago

https://github.com/openmm/openmm/pull/4231 introduced new infrastructure that lets us dramatically simplify plugins like this one. Instead of needing a separate plugin library for each platform, we just implement it once with platform-independent C++.

raimis commented 9 months ago

@peastman, I like this simplification of the plugin.

I suppose this needs to wait until OpenMM 8.1 (with https://github.com/openmm/openmm/pull/4231) is available. Otherwise, we can neither release the new version nor even CI testing.

peastman commented 9 months ago

Correct.

peastman commented 7 months ago

Tests passed building against OpenMM 8.1. @raimis does it look good to you?