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(parent: dd77936) | patch
Allow gmxapi.mdrun to properly dispatch simulation ensembles.
authorM. Eric Irrgang <ericirrgang@gmail.com>
Mon, 9 Sep 2019 15:08:52 +0000 (18:08 +0300)
committerEric Irrgang <ericirrgang@gmail.com>
Wed, 11 Sep 2019 14:33:44 +0000 (16:33 +0200)
commit87f443c761f3cfed0798f7740502e04fd7450fc8
tree0df3cb3ac86ca58aa8ba15f94e93cbb3bafaeceftree | snapshot
parentdd7793690e16fbce0a389cc65586989df40e7dd5commit | diff
Allow gmxapi.mdrun to properly dispatch simulation ensembles.

Update the gmxapi.simulation.mdrun implementation to be more normative.
Dispatch the simulation work to the gmxapi 0.0.7 implementation in
gmxapi.simulation.workflow and gmxapi.simulation.context.

Change-Id: Id223507fc064e178992bc87d6fcf89bdd4029523
python_packaging/src/gmxapi/simulation/abc.py [new file with mode: 0644] blob
python_packaging/src/gmxapi/simulation/mdrun.py diff | blob | history
python_packaging/src/test/test_mdrun.py diff | blob | history
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