Use x-axis along the particle's quaternion.
This change allows the fix to work in 2D as well.
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@ -40,8 +40,8 @@ which the force is added depends on the mode.
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For mode = velocity, the active force acts along the velocity vector of each atom. This can
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be interpreted as a velocity-dependent friction, such as proposed by "(Erdmann)"_#Erdmann.
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For mode = quaternion the force is along the axis obtained by rotating the z-axis along the
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atom's quaternion. In other words, the force is along the z-axis in the atom's body
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For mode = quaternion the force is along the axis obtained by rotating the x-axis along the
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atom's quaternion. In other words, the force is along the x-axis in the atom's body
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frame. This mode requires all atoms in the group to have a quaternion, so atom_style should
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either be ellipsoid or body. In combination with Langevin thermostat for translation and
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rotation in the overdamped regime, the quaternion mode corresponds to the active Brownian
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@ -188,7 +188,7 @@ void FixPropelSelf::post_force_quaternion(int /* vflag */ )
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continue;
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}
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double f_act[3] = { 0.0, 0.0, 1.0 };
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double f_act[3] = { 1.0, 0.0, 0.0 };
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double f_rot[3];
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double *quat = bonus[ellipsoid[i]].quat;
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