git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@474 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
@ -72,7 +72,7 @@ two groups: the default group "all" and the group specified in the fix
|
|||||||
deposit command (which can also be "all").
|
deposit command (which can also be "all").
|
||||||
</P>
|
</P>
|
||||||
<P>If you are computing temperature values which include inserted
|
<P>If you are computing temperature values which include inserted
|
||||||
particles, you will want to use the <A HREF = "temp_modify.html">temp_modify</A>
|
particles, you will want to use the <A HREF = "compute_modify.html">compute_modify</A>
|
||||||
dynamic option, which insures the current number of atoms is used as a
|
dynamic option, which insures the current number of atoms is used as a
|
||||||
normalizing factor each time temperature is computed.
|
normalizing factor each time temperature is computed.
|
||||||
</P>
|
</P>
|
||||||
|
|||||||
@ -60,7 +60,7 @@ two groups: the default group "all" and the group specified in the fix
|
|||||||
deposit command (which can also be "all").
|
deposit command (which can also be "all").
|
||||||
|
|
||||||
If you are computing temperature values which include inserted
|
If you are computing temperature values which include inserted
|
||||||
particles, you will want to use the "temp_modify"_temp_modify.html
|
particles, you will want to use the "compute_modify"_compute_modify.html
|
||||||
dynamic option, which insures the current number of atoms is used as a
|
dynamic option, which insures the current number of atoms is used as a
|
||||||
normalizing factor each time temperature is computed.
|
normalizing factor each time temperature is computed.
|
||||||
|
|
||||||
|
|||||||
@ -74,8 +74,8 @@ contribution to the pressure virial is also accounted for. The latter
|
|||||||
is only correct if forces within the bodies have been turned off, and
|
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
|
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
|
of three or more atoms, one degree-of-freedom must be added using a
|
||||||
<A HREF = "temp_modify.html">temp_modify</A> command (i.e. for a simulation of 10
|
<A HREF = "compute_modify.html">compute_modify</A> command (i.e. for a simulation of 10
|
||||||
such rigid bodies, use "temp_modify mine extra -7", where 3 is the
|
such rigid bodies, use "compute_modify mine extra -7", where 3 is the
|
||||||
default setting and -10 degrees-of-freedom are subtracted).
|
default setting and -10 degrees-of-freedom are subtracted).
|
||||||
</P>
|
</P>
|
||||||
<P>Note that this fix uses constant-energy integration, so you may need
|
<P>Note that this fix uses constant-energy integration, so you may need
|
||||||
|
|||||||
@ -67,8 +67,8 @@ contribution to the pressure virial is also accounted for. The latter
|
|||||||
is only correct if forces within the bodies have been turned off, and
|
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
|
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
|
of three or more atoms, one degree-of-freedom must be added using a
|
||||||
"temp_modify"_temp_modify.html command (i.e. for a simulation of 10
|
"compute_modify"_compute_modify.html command (i.e. for a simulation of 10
|
||||||
such rigid bodies, use "temp_modify mine extra -7", where 3 is the
|
such rigid bodies, use "compute_modify mine extra -7", where 3 is the
|
||||||
default setting and -10 degrees-of-freedom are subtracted).
|
default setting and -10 degrees-of-freedom are subtracted).
|
||||||
|
|
||||||
Note that this fix uses constant-energy integration, so you may need
|
Note that this fix uses constant-energy integration, so you may need
|
||||||
|
|||||||
Reference in New Issue
Block a user