git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3139 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
@ -180,14 +180,16 @@ is defined as delta/length0, where length0 is the original box length
|
||||
and delta is the change relative to the original length. Thus if the
|
||||
<I>trate</I> R is 0.1 and time units are picoseconds, this means the box
|
||||
length will increase by 10% of its current length every picosecond.
|
||||
I.e. strain after 1 psec = 0.1, strain after 2 psec = 0.21, etc.
|
||||
R = 1 or 2 means the box length will double or triple every
|
||||
picosecond. R = -0.01 means the box length will shrink by 1% of its
|
||||
current length every picosecond. Note that for a "true" rate the
|
||||
change is continuous and based on the current length, so running with
|
||||
R = 1 for 10 picoseconds does not expand the box length by a factor of
|
||||
10 as it would with <I>erate</I>, but by a factor of 1024 since it doubles
|
||||
every picosecond.
|
||||
I.e. strain after 1 psec = 0.1, strain after 2 psec = 0.21, etc. R =
|
||||
1 or 2 means the box length will double or triple every picosecond. R
|
||||
= -0.01 means the box length will shrink by 1% of its current length
|
||||
every picosecond. Note that for a "true" rate the change is
|
||||
continuous and based on the current length, so running with R = 1 for
|
||||
10 picoseconds does not expand the box length by a factor of 10 as it
|
||||
would with <I>erate</I>, but by a factor of 1024 since it doubles every
|
||||
picosecond. Note that the <I>trate</I> value must be < -1.0 to be valid,
|
||||
since a value of -1.0 would mean shrink the box size or tilt by 100%
|
||||
to a value of 0.0.
|
||||
</P>
|
||||
<P>Note that to change the volume (or cross-sectional area) of the
|
||||
simulation box at a constant rate, you can change multiple dimensions
|
||||
|
||||
@ -170,14 +170,16 @@ is defined as delta/length0, where length0 is the original box length
|
||||
and delta is the change relative to the original length. Thus if the
|
||||
{trate} R is 0.1 and time units are picoseconds, this means the box
|
||||
length will increase by 10% of its current length every picosecond.
|
||||
I.e. strain after 1 psec = 0.1, strain after 2 psec = 0.21, etc.
|
||||
R = 1 or 2 means the box length will double or triple every
|
||||
picosecond. R = -0.01 means the box length will shrink by 1% of its
|
||||
current length every picosecond. Note that for a "true" rate the
|
||||
change is continuous and based on the current length, so running with
|
||||
R = 1 for 10 picoseconds does not expand the box length by a factor of
|
||||
10 as it would with {erate}, but by a factor of 1024 since it doubles
|
||||
every picosecond.
|
||||
I.e. strain after 1 psec = 0.1, strain after 2 psec = 0.21, etc. R =
|
||||
1 or 2 means the box length will double or triple every picosecond. R
|
||||
= -0.01 means the box length will shrink by 1% of its current length
|
||||
every picosecond. Note that for a "true" rate the change is
|
||||
continuous and based on the current length, so running with R = 1 for
|
||||
10 picoseconds does not expand the box length by a factor of 10 as it
|
||||
would with {erate}, but by a factor of 1024 since it doubles every
|
||||
picosecond. Note that the {trate} value must be < -1.0 to be valid,
|
||||
since a value of -1.0 would mean shrink the box size or tilt by 100%
|
||||
to a value of 0.0.
|
||||
|
||||
Note that to change the volume (or cross-sectional area) of the
|
||||
simulation box at a constant rate, you can change multiple dimensions
|
||||
|
||||
Reference in New Issue
Block a user