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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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28
doc/fix_srd.html
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@ -38,10 +38,12 @@
<I>cubic</I> values = style tolerance <I>cubic</I> values = style tolerance
style = <I>error</I> or <I>warn</I> style = <I>error</I> or <I>warn</I>
tolerance = fractional difference allowed (0 <= tol <= 1) 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>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>yes</I> = perform bin shifting each time SRD velocities are rescaled
<I>no</I> = no shifting <I>no</I> = no shifting
<I>possible</I> = shift depending on mean free path and bin size <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>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>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 <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 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 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 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 same vector. The specified random number <I>shiftseed</I> is used to
these vectors. This operation sufficiently randomizes which SRD generate these vectors. This operation sufficiently randomizes which
particles are in the same bin, even if lamda is small. SRD particles are in the same bin, even if lamda is small.
</P> </P>
<P>If the <I>shift</I> style is set to <I>no</I>, then no shifting is performed, <P>If the <I>shift</I> flag is set to <I>no</I>, then no shifting is performed, but
but bin data will be communicated if bins overlap processor bin data will be communicated if bins overlap processor boundaries.
boundaries. An error will be generated if lamda < 0.6 of the SRD bin An error will be generated if lamda < 0.6 of the SRD bin size. If the
size. If the <I>shift</I> style is set to <I>possible</I>, then shifting is <I>shift</I> flag is set to <I>possible</I>, then shifting is performed only if
performed only if lamda < 0.6 of the SRD bin size. A warning is lamda < 0.6 of the SRD bin size. A warning is generated to let you
generated to let you know this is occurring. If the <I>shift</I> style is know this is occurring. If the <I>shift</I> flag is set to <I>yes</I> then
set to <I>yes</I> then shifting is performed regardless of the magnitude of shifting is performed regardless of the magnitude of lamda. Note that
lamda. the <I>shiftseed</I> is not used if the <I>shift</I> flag is set to <I>no</I>, but
</P>
<P>The shift seed is not used if the <I>shift</I> style is set to <I>no</I>, but
must still be specified. must still be specified.
</P> </P>
<P>Note that shifting of SRD coordinates requires extra communication, <P>Note that shifting of SRD coordinates requires extra communication,

28
doc/fix_srd.txt
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@ -33,10 +33,12 @@ keyword = {lamda} or {collision} or {overlap} or {inside} or {exact} or {radius}
{cubic} values = style tolerance {cubic} values = style tolerance
style = {error} or {warn} style = {error} or {warn}
tolerance = fractional difference allowed (0 <= tol <= 1) tolerance = fractional difference allowed (0 <= tol <= 1)
{shift} = {yes} or {no} or {possible} = SRD bin shifting for better statistics {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 {yes} = perform bin shifting each time SRD velocities are rescaled
{no} = no shifting {no} = no shifting
{possible} = shift depending on mean free path and bin size {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 {tstat} value = {yes} or {no} = thermostat SRD particles or not
{rescale} value = {yes} or {no} or {rotate} or {collide} = rescaling of SRD velocities {rescale} value = {yes} or {no} or {rotate} or {collide} = rescaling of SRD velocities
{yes} = rescale during velocity rotation and collisions {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 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 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 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 same vector. The specified random number {shiftseed} is used to
these vectors. This operation sufficiently randomizes which SRD generate these vectors. This operation sufficiently randomizes which
particles are in the same bin, even if lamda is small. 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, If the {shift} flag is set to {no}, then no shifting is performed, but
but bin data will be communicated if bins overlap processor bin data will be communicated if bins overlap processor boundaries.
boundaries. An error will be generated if lamda < 0.6 of the SRD bin An error will be generated if lamda < 0.6 of the SRD bin size. If the
size. If the {shift} style is set to {possible}, then shifting is {shift} flag is set to {possible}, then shifting is performed only if
performed only if lamda < 0.6 of the SRD bin size. A warning is lamda < 0.6 of the SRD bin size. A warning is generated to let you
generated to let you know this is occurring. If the {shift} style is know this is occurring. If the {shift} flag is set to {yes} then
set to {yes} then shifting is performed regardless of the magnitude of shifting is performed regardless of the magnitude of lamda. Note that
lamda. the {shiftseed} is not used if the {shift} flag is set to {no}, but
The shift seed is not used if the {shift} style is set to {no}, but
must still be specified. must still be specified.
Note that shifting of SRD coordinates requires extra communication, Note that shifting of SRD coordinates requires extra communication,