git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3139 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp
2009-09-02 16:40:40 +00:00
parent 9adb7fae0b
commit c521e53eee
2 changed files with 20 additions and 16 deletions

View File

@ -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

View File

@ -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