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Task #1785

no pV term written to energy file when pressure coupling is anisotropic

Added by Mark Abraham over 4 years ago.

Status:
New
Priority:
Low
Assignee:
-
Category:
mdrun
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uncategorized
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Description

In https://gerrit.gromacs.org/#q,I157b0468907802e29c7dec763ed2e5db99c02922,n,z a fix made explicit that we only write a pV term to the energy file when there is isotropic pressure coupling.

Whether we can and should write a pV term for non-isotropic coupling is an open question.

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