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markovmodel / adaptivemd

A python framework to run adaptive Markov state model (MSM) simulation on HPC resources
GNU Lesser General Public License v2.1
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Tests #55

Closed jhprinz closed 7 years ago

jhprinz commented 7 years ago

Fixes the test in tests/test_simple.py

The file was old and not really meant to be working. It used before lots of refactoring was done. This PR fixes it and it should work correctly now.

It is nice to see the example on how to use the scheduler if you do not want to use the full worker.

franknoe commented 7 years ago

Thanks! BTW we have John Ossyra @jrossyra from Jeremy's group onboard now. John will push the adaptivemd software development forward in the future. Let's skype soon in order to hoist the sails ...

Am 26/05/17 um 23:50 schrieb Jan-Hendrik Prinz:

Fixes the test in |tests/test_simple.py|

The file was old and not really meant to be working. It used before lots of refactoring was done. This PR fixes it and it should work correctly now.

It is nice to see the example on how to use the scheduler if you do not want to use the full worker.

    You can view, comment on, or merge this pull request online at:

https://github.com/markovmodel/adaptivemd/pull/55

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jhprinz commented 7 years ago

Great news. I was wondering, what you guys sorted out. Will be back in Berlin next week and we can skype then.

jro1234 commented 7 years ago

I'm very excited to be working on this project, and I should be available any time before next friday so just let me know what will work. While you're making these updates, there's one additional line in the README to change: cd adaptivemd/tests/ python test_simple.py