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Task #3064

add test for perturbed bonded forces

Added by Berk Hess about 1 month ago. Updated about 1 month ago.

Status:
New
Priority:
Normal
Assignee:
-
Category:
testing
Target version:
Difficulty:
uncategorized
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Description

We do not catch bugs where a (forces-only) bonded kernel compute forces with the A-state parameters instead of the correct lambda dependent values.

Associated revisions

Revision 1e3bd57a (diff)
Added by Berk Hess about 1 month ago

Fix perturbed bonded bug

Recent commit 0c26c550 allowed perturbed bonded interactions to use
SIMD kernels that only used the A-state parameters.

TODO: Add tests that catch this, refs #3064

Change-Id: I6e03d55f1431e007a9d7d85e1b32151340765b42

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