Loading doc/fix_rigid.html +7 −6 Original line number Diff line number Diff line Loading @@ -73,10 +73,11 @@ temperature and pressure computations. Similary, the rigid body contribution to the pressure virial is also accounted for. The latter is only correct if forces within the bodies have been turned off, and there is only a single fix rigid defined. For each linear rigid body of three or more atoms, one degree-of-freedom must be added using a <A HREF = "compute_modify.html">compute_modify</A> command (i.e. for a simulation of 10 such rigid bodies, use "compute_modify mine extra -7", where 3 is the default setting and -10 degrees-of-freedom are subtracted). of three or more atoms, one degree-of-freedom must be subtracted using a compute_modify command (i.e. for a simulation of 10 such rigid bodies, use "compute_modify thermo_temp extra 13", after the thermo_style command, where 3 is the default setting and an additional 10 degrees-of-freedom are subtracted). </P> <P>Note that this fix uses constant-energy integration, so you may need to impose additional constraints to control the temperature of an Loading doc/fix_rigid.txt +7 −6 Original line number Diff line number Diff line Loading @@ -66,10 +66,11 @@ temperature and pressure computations. Similary, the rigid body contribution to the pressure virial is also accounted for. The latter is only correct if forces within the bodies have been turned off, and there is only a single fix rigid defined. For each linear rigid body of three or more atoms, one degree-of-freedom must be added using a "compute_modify"_compute_modify.html command (i.e. for a simulation of 10 such rigid bodies, use "compute_modify mine extra -7", where 3 is the default setting and -10 degrees-of-freedom are subtracted). of three or more atoms, one degree-of-freedom must be subtracted using a compute_modify command (i.e. for a simulation of 10 such rigid bodies, use "compute_modify thermo_temp extra 13", after the thermo_style command, where 3 is the default setting and an additional 10 degrees-of-freedom are subtracted). Note that this fix uses constant-energy integration, so you may need to impose additional constraints to control the temperature of an Loading Loading
doc/fix_rigid.html +7 −6 Original line number Diff line number Diff line Loading @@ -73,10 +73,11 @@ temperature and pressure computations. Similary, the rigid body contribution to the pressure virial is also accounted for. The latter is only correct if forces within the bodies have been turned off, and there is only a single fix rigid defined. For each linear rigid body of three or more atoms, one degree-of-freedom must be added using a <A HREF = "compute_modify.html">compute_modify</A> command (i.e. for a simulation of 10 such rigid bodies, use "compute_modify mine extra -7", where 3 is the default setting and -10 degrees-of-freedom are subtracted). of three or more atoms, one degree-of-freedom must be subtracted using a compute_modify command (i.e. for a simulation of 10 such rigid bodies, use "compute_modify thermo_temp extra 13", after the thermo_style command, where 3 is the default setting and an additional 10 degrees-of-freedom are subtracted). </P> <P>Note that this fix uses constant-energy integration, so you may need to impose additional constraints to control the temperature of an Loading
doc/fix_rigid.txt +7 −6 Original line number Diff line number Diff line Loading @@ -66,10 +66,11 @@ temperature and pressure computations. Similary, the rigid body contribution to the pressure virial is also accounted for. The latter is only correct if forces within the bodies have been turned off, and there is only a single fix rigid defined. For each linear rigid body of three or more atoms, one degree-of-freedom must be added using a "compute_modify"_compute_modify.html command (i.e. for a simulation of 10 such rigid bodies, use "compute_modify mine extra -7", where 3 is the default setting and -10 degrees-of-freedom are subtracted). of three or more atoms, one degree-of-freedom must be subtracted using a compute_modify command (i.e. for a simulation of 10 such rigid bodies, use "compute_modify thermo_temp extra 13", after the thermo_style command, where 3 is the default setting and an additional 10 degrees-of-freedom are subtracted). Note that this fix uses constant-energy integration, so you may need to impose additional constraints to control the temperature of an Loading
