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Added a note that PLUMED 2.10 is needed to fetch colvar values
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ceriottm committed Dec 14, 2024
1 parent 3fccaf2 commit a33ef78
Showing 1 changed file with 7 additions and 1 deletion.
8 changes: 7 additions & 1 deletion ipi/inputs/forcefields.py
Original file line number Diff line number Diff line change
Expand Up @@ -563,7 +563,13 @@ class InputFFPlumed(InputForceField):
{
"dtype": str,
"default": input_default(factory=np.zeros, args=(0, str)),
"help": "List of variables defined in the PLUMED input, that should be transferred to i-PI as `extras` fields.",
"help": """List of variables defined in the PLUMED input,
that should be transferred to i-PI as `extras` fields.
Note that a version of PLUMED greater or equal than 2.10 is necessary
to retrieve variables into i-PI,
and that, if you are using ring-polymer contraction, the associated force block
should use `interpolate_extras` to make sure all beads have values.
""",
},
),
}
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