Loading doc/fix_rigid.html +4 −4 Original line number Diff line number Diff line Loading @@ -74,10 +74,10 @@ 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 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). a <A HREF = "compute_modify.html">compute_modify</A> 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 +4 −4 Original line number Diff line number Diff line Loading @@ -67,10 +67,10 @@ 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 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). a "compute_modify"_compute_modify.html 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 +4 −4 Original line number Diff line number Diff line Loading @@ -74,10 +74,10 @@ 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 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). a <A HREF = "compute_modify.html">compute_modify</A> 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 +4 −4 Original line number Diff line number Diff line Loading @@ -67,10 +67,10 @@ 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 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). a "compute_modify"_compute_modify.html 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
