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Commit 1a4c2255 authored by Giovanni Bussi's avatar Giovanni Bussi
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Comment on virial bug (see #414)

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......@@ -27,6 +27,12 @@ make no-user-plumed
Also notice that command "fix plumed" should be used in lammps input
file *after* the relevant input parameters have been set (e.g. after "timestep" command)
\bug The provided patch does not pass the virial correctly to PLUMED (see https://github.com/plumed/plumed2/issues/377).
If you need to perform constant pressure simulations you should download a LAMMPS version newer than November 2018, where the mentioned bug
has been fixed, that natively supports PLUMED 2.4.
If you need to use LAMMPS with fixed virial with PLUMED 2.3, you can compile LAMMPS with PLUMED 2.4 using runtime binding and then set the variable
PLUMED_KERNEL to load PLUMED 2.3.
See also http://lammps.sandia.gov/doc/Section_commands.html for
further info on processing LAMMPS input, as well as
this discussion on github: http://github.com/plumed/plumed2/issues/67.
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