[lammps-users] NVT calculation for point dipoles

The command
#fix 1 all nvt/sphere temp 1.5 1.5 100.0 update dipole
is not allowed for nvt.

What I meant was that the dipole option would have to be
added to the source code. You are correct, fix nvt doesn't
currently support that option.

Until it does, I would run fix nve and thermostat some other
way, e.g. with fix langevin or fix temp/rescale.