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multiscale
lammps
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eee0df45
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eee0df45
authored
6 years ago
by
Marshall McDonnell
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Updated fix gcmc docs for tail correction note
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eee0df45
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@@ -349,7 +349,7 @@ in the context of NVT dynamics.
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@@ -349,7 +349,7 @@ in the context of NVT dynamics.
NOTE: If the density of the cell is initially very small or zero, and
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,
increases to a much larger density after a period of equilibration,
then certain quantities that are only calculated once at the start
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
solution is to start a new simulation after the equilibrium density
has been reached.
has been reached.
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