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Feature #889

pressure annealing

Added by Rossen Apostolov over 8 years ago. Updated over 1 year ago.

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

Requested by Jussi Lehtola:

Currently GROMACS supports temperature annealing, but not pressure annealing. Pressure annealing would be a nice addition, since it should help in thermalizing systems e.g. undergoing phase changes.

History

#1 Updated by Teemu Murtola over 7 years ago

  • Target version set to future

#2 Updated by Mark Abraham over 1 year ago

  • Status changed from New to Rejected

Not going to implement this in core GROMACS, when we have teh API it will be trivial to implement there.

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