Loading doc/src/fix_propel_self.rst +6 −6 Original line number Diff line number Diff line Loading @@ -10,7 +10,7 @@ fix ID group-ID propel/self mode magnitude keyword values ... * ID, group-ID are documented in :doc:`fix <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* Loading @@ -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 """"""""""" Loading @@ -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) <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 Loading Loading @@ -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 Loading examples/USER/misc/propel_self/3d_quaternion/in.3d_quaternion +1 −1 Original line number Diff line number Diff line Loading @@ -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 Loading src/USER-MISC/fix_propel_self.cpp +2 −2 Original line number Diff line number Diff line Loading @@ -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) Loading Loading @@ -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; } Loading Loading
doc/src/fix_propel_self.rst +6 −6 Original line number Diff line number Diff line Loading @@ -10,7 +10,7 @@ fix ID group-ID propel/self mode magnitude keyword values ... * ID, group-ID are documented in :doc:`fix <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* Loading @@ -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 """"""""""" Loading @@ -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) <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 Loading Loading @@ -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 Loading
examples/USER/misc/propel_self/3d_quaternion/in.3d_quaternion +1 −1 Original line number Diff line number Diff line Loading @@ -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 Loading
src/USER-MISC/fix_propel_self.cpp +2 −2 Original line number Diff line number Diff line Loading @@ -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) Loading Loading @@ -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; } Loading
