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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10753 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2013-09-10 23:41:28 +00:00
parent e7e46657c4
commit 08de04c192
2 changed files with 34 additions and 34 deletions
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34
doc/fix_srd.html
View File

@ -38,10 +38,12 @@
<I>cubic</I> values = style tolerance
style = <I>error</I> or <I>warn</I>
tolerance = fractional difference allowed (0 <= tol <= 1)
<I>shift</I> = <I>yes</I> or <I>no</I> or <I>possible</I> = SRD bin shifting for better statistics
<I>yes</I> = perform bin shifting each time SRD velocities are rescaled
<I>no</I> = no shifting
<I>possible</I> = shift depending on mean free path and bin size
<I>shift</I> values = flag shiftseed
flag = <I>yes</I> or <I>no</I> or <I>possible</I> = SRD bin shifting for better statistics
<I>yes</I> = perform bin shifting each time SRD velocities are rescaled
<I>no</I> = no shifting
<I>possible</I> = shift depending on mean free path and bin size
shiftseed = random # seed (positive integer)
<I>tstat</I> value = <I>yes</I> or <I>no</I> = thermostat SRD particles or not
<I>rescale</I> value = <I>yes</I> or <I>no</I> or <I>rotate</I> or <I>collide</I> = rescaling of SRD velocities
<I>yes</I> = rescale during velocity rotation and collisions
@ -260,20 +262,18 @@ lamda. If lamda is less than 0.6 of the SRD bin size, then shifting
is required. A shift means that all of the SRD particles are shifted
by a vector whose coordinates are chosen randomly in the range [-1/2
bin size, 1/2 bin size]. Note that all particles are shifted by the
same vector. The specified random number seed is used to generate
these vectors. This operation sufficiently randomizes which SRD
particles are in the same bin, even if lamda is small.
same vector. The specified random number <I>shiftseed</I> is used to
generate these vectors. This operation sufficiently randomizes which
SRD particles are in the same bin, even if lamda is small.
</P>
<P>If the <I>shift</I> style is set to <I>no</I>, then no shifting is performed,
but bin data will be communicated if bins overlap processor
boundaries. An error will be generated if lamda < 0.6 of the SRD bin
size. If the <I>shift</I> style is set to <I>possible</I>, then shifting is
performed only if lamda < 0.6 of the SRD bin size. A warning is
generated to let you know this is occurring. If the <I>shift</I> style is
set to <I>yes</I> then shifting is performed regardless of the magnitude of
lamda.
</P>
<P>The shift seed is not used if the <I>shift</I> style is set to <I>no</I>, but
<P>If the <I>shift</I> flag is set to <I>no</I>, then no shifting is performed, but
bin data will be communicated if bins overlap processor boundaries.
An error will be generated if lamda < 0.6 of the SRD bin size. If the
<I>shift</I> flag is set to <I>possible</I>, then shifting is performed only if
lamda < 0.6 of the SRD bin size. A warning is generated to let you
know this is occurring. If the <I>shift</I> flag is set to <I>yes</I> then
shifting is performed regardless of the magnitude of lamda. Note that
the <I>shiftseed</I> is not used if the <I>shift</I> flag is set to <I>no</I>, but
must still be specified.
</P>
<P>Note that shifting of SRD coordinates requires extra communication,

34
doc/fix_srd.txt
View File

@ -33,10 +33,12 @@ keyword = {lamda} or {collision} or {overlap} or {inside} or {exact} or {radius}
{cubic} values = style tolerance
style = {error} or {warn}
tolerance = fractional difference allowed (0 <= tol <= 1)
{shift} = {yes} or {no} or {possible} = SRD bin shifting for better statistics
{yes} = perform bin shifting each time SRD velocities are rescaled
{no} = no shifting
{possible} = shift depending on mean free path and bin size
{shift} values = flag shiftseed
flag = {yes} or {no} or {possible} = SRD bin shifting for better statistics
{yes} = perform bin shifting each time SRD velocities are rescaled
{no} = no shifting
{possible} = shift depending on mean free path and bin size
shiftseed = random # seed (positive integer)
{tstat} value = {yes} or {no} = thermostat SRD particles or not
{rescale} value = {yes} or {no} or {rotate} or {collide} = rescaling of SRD velocities
{yes} = rescale during velocity rotation and collisions
@ -254,20 +256,18 @@ lamda. If lamda is less than 0.6 of the SRD bin size, then shifting
is required. A shift means that all of the SRD particles are shifted
by a vector whose coordinates are chosen randomly in the range \[-1/2
bin size, 1/2 bin size\]. Note that all particles are shifted by the
same vector. The specified random number seed is used to generate
these vectors. This operation sufficiently randomizes which SRD
particles are in the same bin, even if lamda is small.
same vector. The specified random number {shiftseed} is used to
generate these vectors. This operation sufficiently randomizes which
SRD particles are in the same bin, even if lamda is small.
If the {shift} style is set to {no}, then no shifting is performed,
but bin data will be communicated if bins overlap processor
boundaries. An error will be generated if lamda < 0.6 of the SRD bin
size. If the {shift} style is set to {possible}, then shifting is
performed only if lamda < 0.6 of the SRD bin size. A warning is
generated to let you know this is occurring. If the {shift} style is
set to {yes} then shifting is performed regardless of the magnitude of
lamda.
The shift seed is not used if the {shift} style is set to {no}, but
If the {shift} flag is set to {no}, then no shifting is performed, but
bin data will be communicated if bins overlap processor boundaries.
An error will be generated if lamda < 0.6 of the SRD bin size. If the
{shift} flag is set to {possible}, then shifting is performed only if
lamda < 0.6 of the SRD bin size. A warning is generated to let you
know this is occurring. If the {shift} flag is set to {yes} then
shifting is performed regardless of the magnitude of lamda. Note that
the {shiftseed} is not used if the {shift} flag is set to {no}, but
must still be specified.
Note that shifting of SRD coordinates requires extra communication,