Updated fix gcmc docs for tail correction note
This commit is contained in:
@ -349,7 +349,7 @@ in the context of NVT dynamics.
|
||||
NOTE: If the density of the cell is initially very small or zero, and
|
||||
increases to a much larger density after a period of equilibration,
|
||||
then certain quantities that are only calculated once at the start
|
||||
(kspace parameters, tail corrections) may no longer be accurate. The
|
||||
(kspace parameters) may no longer be accurate. The
|
||||
solution is to start a new simulation after the equilibrium density
|
||||
has been reached.
|
||||
|
||||
|
||||
Reference in New Issue
Block a user