Message passing operation#59

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raimis wants to merge 18 commits intoopenmm:masterfrom

raimis:messages

Commits on Jun 7, 2022

Move the code from https://github.com/openmm/NNPOps/pull/58
Raimondas Galvelis
committed
Integrate the message passing kernel
Raimondas Galvelis
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Support pre-Kepler GPUs
Raimondas Galvelis
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Commits on Jun 14, 2022

Merge branch 'master' into messages
Raimondas Galvelis
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Fix a merging artifact
Raimondas Galvelis
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Fix another merge artifact
Raimondas Galvelis
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Commits on Jun 15, 2022

Factor out atomicAdd
Raimondas Galvelis
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Add an include guard
Raimondas Galvelis
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Factor out the accessor
Raimondas Galvelis
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Commits on Aug 1, 2022

Merge branch 'openmm:master' into messages
raimis
authored

Commits on Aug 2, 2022

Fix a function name
Raimondas Galvelis
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Commits on Aug 18, 2022

Merge branch 'master' into messages
Raimondas Galvelis
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Add the message passing tests
Raimondas Galvelis
committed

Commits on Aug 19, 2022

Tune the test tolerances
Raimondas Galvelis
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Enable the tests
Raimondas Galvelis
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Fixed the tests
Raimondas Galvelis
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Add documentation
Raimondas Galvelis
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Commits on Sep 7, 2022

Fix a typo
Raimondas Galvelis
committed