diff --git a/doc/src/fix_propel_self.rst b/doc/src/fix_propel_self.rst index f8cd7f7faa..005657c759 100644 --- a/doc/src/fix_propel_self.rst +++ b/doc/src/fix_propel_self.rst @@ -10,7 +10,7 @@ fix ID group-ID propel/self mode magnitude keyword values ... * ID, group-ID are documented in :doc:`fix ` command * propel/self = style name of this fix command -* mode = velocity or quaternion +* mode = velocity or quat * magnitude = magnitude of the active force * one or more keyword/value pairs may be appended to args * keyword = *types* @@ -28,9 +28,9 @@ Examples fix active_group all propel/self velocity 1.0 fix constant_velocity all viscous 1.0 - fix active_group all propel/self quaternion 1.0 + fix active_group all propel/self quat 1.0 - fix active all propel/self quaternion 1.0 types 1 2 4 + fix active all propel/self quat 1.0 types 1 2 4 Description """"""""""" @@ -42,7 +42,7 @@ For *mode* = *velocity*, the active force acts along the velocity vector of each atom. This can be interpreted as a velocity-dependent friction, such as proposed by :ref:`(Erdmann) `. -For *mode* = *quaternion* the force is applied along the axis obtained +For *mode* = *quat* the force is applied along the axis obtained by rotating the x-axis along the atom's quaternion. In other words, the force is along the x-axis in the atom's body frame. This mode requires all atoms in the group to have a quaternion, so atom\_style should @@ -70,9 +70,9 @@ Restrictions """""""""""" -In quaternion mode, this fix makes use of per-atom quaternions to take +In quat mode, this fix makes use of per-atom quaternions to take into account the fact that the orientation can rotate and hence the -direction of the active force can change. The quaternion mode +direction of the active force can change. The quat mode of this fix only works with atom\_style ellipsoid. Related commands diff --git a/examples/USER/misc/propel_self/3d_quaternion/in.3d_quaternion b/examples/USER/misc/propel_self/3d_quaternion/in.3d_quaternion index 8e8e4573d0..d6b6aff7dd 100644 --- a/examples/USER/misc/propel_self/3d_quaternion/in.3d_quaternion +++ b/examples/USER/misc/propel_self/3d_quaternion/in.3d_quaternion @@ -33,7 +33,7 @@ thermo_style custom step pe ke etotal temp thermo 100 run 500 -fix active all propel/self quaternion 1.0 +fix active all propel/self quat 1.0 # With active force there is more motion so increase bin size: neighbor 1.0 bin diff --git a/src/USER-MISC/fix_propel_self.cpp b/src/USER-MISC/fix_propel_self.cpp index a2d1c4166c..dcc027aab1 100644 --- a/src/USER-MISC/fix_propel_self.cpp +++ b/src/USER-MISC/fix_propel_self.cpp @@ -66,7 +66,7 @@ FixPropelSelf::FixPropelSelf( LAMMPS *lmp, int narg, char **argv ) if (strncmp(mode_str, "velocity", 8) == 0) { mode = VELOCITY; - } else if (strncmp(mode_str, "quaternion", 10) == 0) { + } else if (strncmp(mode_str, "quat", 10) == 0) { // This mode should only be supported if the atom style has // a quaternion (and if all atoms in the group have it) @@ -248,7 +248,7 @@ void FixPropelSelf::post_force_velocity(int /*vflag*/) int FixPropelSelf::atoms_have_quaternion() { if (!atom->ellipsoid_flag) { - error->all(FLERR, "Mode 'quaternion' requires atom style ellipsoid"); + error->all(FLERR, "Mode 'quat' requires atom style ellipsoid"); return 0; }