mirror of https://github.com/lammps/lammps.git
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5281 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
parent
a20cc3b588
commit
f5aced15ff
|
@ -76,12 +76,13 @@ per-atom vectors.
|
|||
|
||||
<P>The <I>Nevery</I>, <I>Nrepeat</I>, and <I>Nfreq</I> arguments specify on what
|
||||
timesteps the input values will be used in order to contribute to the
|
||||
average. The final averaged quantities are generated every <I>Nfreq</I>
|
||||
timesteps. The average is over <I>Nrepeat</I> quantities, computed in the
|
||||
preceding portion of the simulation every <I>Nevery</I> timesteps. <I>Nfreq</I>
|
||||
must be a multiple of <I>Nevery</I> and <I>Nevery</I> must be non-zero even if
|
||||
<I>Nrepeat</I> is 1. Also, the timesteps contributing to the average value
|
||||
cannot overlap, i.e. Nfreq > (Nrepeat-1)*Nevery is required.
|
||||
average. The final averaged quantities are generated on timesteps
|
||||
that are a multiple of <I>Nfreq</I>. The average is over <I>Nrepeat</I>
|
||||
quantities, computed in the preceding portion of the simulation every
|
||||
<I>Nevery</I> timesteps. <I>Nfreq</I> must be a multiple of <I>Nevery</I> and
|
||||
<I>Nevery</I> must be non-zero even if <I>Nrepeat</I> is 1. Also, the timesteps
|
||||
contributing to the average value cannot overlap, i.e. Nfreq >
|
||||
(Nrepeat-1)*Nevery is required.
|
||||
</P>
|
||||
<P>For example, if Nevery=2, Nrepeat=6, and Nfreq=100, then values on
|
||||
timesteps 90,92,94,96,98,100 will be used to compute the final average
|
||||
|
|
|
@ -66,12 +66,13 @@ Each per-atom value of each input vector is averaged independently.
|
|||
|
||||
The {Nevery}, {Nrepeat}, and {Nfreq} arguments specify on what
|
||||
timesteps the input values will be used in order to contribute to the
|
||||
average. The final averaged quantities are generated every {Nfreq}
|
||||
timesteps. The average is over {Nrepeat} quantities, computed in the
|
||||
preceding portion of the simulation every {Nevery} timesteps. {Nfreq}
|
||||
must be a multiple of {Nevery} and {Nevery} must be non-zero even if
|
||||
{Nrepeat} is 1. Also, the timesteps contributing to the average value
|
||||
cannot overlap, i.e. Nfreq > (Nrepeat-1)*Nevery is required.
|
||||
average. The final averaged quantities are generated on timesteps
|
||||
that are a multiple of {Nfreq}. The average is over {Nrepeat}
|
||||
quantities, computed in the preceding portion of the simulation every
|
||||
{Nevery} timesteps. {Nfreq} must be a multiple of {Nevery} and
|
||||
{Nevery} must be non-zero even if {Nrepeat} is 1. Also, the timesteps
|
||||
contributing to the average value cannot overlap, i.e. Nfreq >
|
||||
(Nrepeat-1)*Nevery is required.
|
||||
|
||||
For example, if Nevery=2, Nrepeat=6, and Nfreq=100, then values on
|
||||
timesteps 90,92,94,96,98,100 will be used to compute the final average
|
||||
|
|
|
@ -113,11 +113,12 @@ correlations between input values are calculated is determined by the
|
|||
<P>The <I>Nevery</I>, <I>Nrepeat</I>, and <I>Nfreq</I> arguments specify on what
|
||||
timesteps the input values will be used to calculate correlation data.
|
||||
The input values are sampled every <I>Nevery</I> timesteps. The
|
||||
correlation data for the preceding samples is computed every <I>Nfreq</I>
|
||||
timesteps. Consider a set of samples from some initial time up to an
|
||||
output timestep. The initial time could be the beginning of the
|
||||
simulation or the last output time; see the <I>ave</I> keyword for options.
|
||||
For the set of samples, the correlation value Cij is calculated as:
|
||||
correlation data for the preceding samples is computed on timesteps
|
||||
that are a multiple of <I>Nfreq</I>. Consider a set of samples from some
|
||||
initial time up to an output timestep. The initial time could be the
|
||||
beginning of the simulation or the last output time; see the <I>ave</I>
|
||||
keyword for options. For the set of samples, the correlation value
|
||||
Cij is calculated as:
|
||||
</P>
|
||||
<PRE>Cij(delta) = ave(Vi(t)*Vj(t+delta))
|
||||
</PRE>
|
||||
|
|
|
@ -100,11 +100,12 @@ correlations between input values are calculated is determined by the
|
|||
The {Nevery}, {Nrepeat}, and {Nfreq} arguments specify on what
|
||||
timesteps the input values will be used to calculate correlation data.
|
||||
The input values are sampled every {Nevery} timesteps. The
|
||||
correlation data for the preceding samples is computed every {Nfreq}
|
||||
timesteps. Consider a set of samples from some initial time up to an
|
||||
output timestep. The initial time could be the beginning of the
|
||||
simulation or the last output time; see the {ave} keyword for options.
|
||||
For the set of samples, the correlation value Cij is calculated as:
|
||||
correlation data for the preceding samples is computed on timesteps
|
||||
that are a multiple of {Nfreq}. Consider a set of samples from some
|
||||
initial time up to an output timestep. The initial time could be the
|
||||
beginning of the simulation or the last output time; see the {ave}
|
||||
keyword for options. For the set of samples, the correlation value
|
||||
Cij is calculated as:
|
||||
|
||||
Cij(delta) = ave(Vi(t)*Vj(t+delta)) :pre
|
||||
|
||||
|
|
|
@ -120,12 +120,13 @@ details on the format of the output of this fix.
|
|||
|
||||
<P>The <I>Nevery</I>, <I>Nrepeat</I>, and <I>Nfreq</I> arguments specify on what
|
||||
timesteps the input values will be used in order to contribute to the
|
||||
histogram. The final histogram is generated every <I>Nfreq</I> timesteps.
|
||||
It is averaged over <I>Nrepeat</I> histograms, computed in the preceding
|
||||
portion of the simulation every <I>Nevery</I> timesteps. <I>Nfreq</I> must be a
|
||||
multiple of <I>Nevery</I> and <I>Nevery</I> must be non-zero even if <I>Nrepeat</I>
|
||||
is 1. Also, the timesteps contributing to the histogram cannot
|
||||
overlap, i.e. Nfreq > (Nrepeat-1)*Nevery is required.
|
||||
histogram. The final histogram is generated on timesteps that are
|
||||
multiple of <I>Nfreq</I>. It is averaged over <I>Nrepeat</I> histograms,
|
||||
computed in the preceding portion of the simulation every <I>Nevery</I>
|
||||
timesteps. <I>Nfreq</I> must be a multiple of <I>Nevery</I> and <I>Nevery</I> must
|
||||
be non-zero even if <I>Nrepeat</I> is 1. Also, the timesteps contributing
|
||||
to the histogram cannot overlap, i.e. Nfreq > (Nrepeat-1)*Nevery is
|
||||
required.
|
||||
</P>
|
||||
<P>For example, if Nevery=2, Nrepeat=6, and Nfreq=100, then input values
|
||||
on timesteps 90,92,94,96,98,100 will be used to compute the final
|
||||
|
|
|
@ -108,12 +108,13 @@ details on the format of the output of this fix.
|
|||
|
||||
The {Nevery}, {Nrepeat}, and {Nfreq} arguments specify on what
|
||||
timesteps the input values will be used in order to contribute to the
|
||||
histogram. The final histogram is generated every {Nfreq} timesteps.
|
||||
It is averaged over {Nrepeat} histograms, computed in the preceding
|
||||
portion of the simulation every {Nevery} timesteps. {Nfreq} must be a
|
||||
multiple of {Nevery} and {Nevery} must be non-zero even if {Nrepeat}
|
||||
is 1. Also, the timesteps contributing to the histogram cannot
|
||||
overlap, i.e. Nfreq > (Nrepeat-1)*Nevery is required.
|
||||
histogram. The final histogram is generated on timesteps that are
|
||||
multiple of {Nfreq}. It is averaged over {Nrepeat} histograms,
|
||||
computed in the preceding portion of the simulation every {Nevery}
|
||||
timesteps. {Nfreq} must be a multiple of {Nevery} and {Nevery} must
|
||||
be non-zero even if {Nrepeat} is 1. Also, the timesteps contributing
|
||||
to the histogram cannot overlap, i.e. Nfreq > (Nrepeat-1)*Nevery is
|
||||
required.
|
||||
|
||||
For example, if Nevery=2, Nrepeat=6, and Nfreq=100, then input values
|
||||
on timesteps 90,92,94,96,98,100 will be used to compute the final
|
||||
|
|
|
@ -124,13 +124,13 @@ so be careful to use reasonable numbers of bins.
|
|||
|
||||
<P>The <I>Nevery</I>, <I>Nrepeat</I>, and <I>Nfreq</I> arguments specify on what
|
||||
timesteps the input values will be used to bin them and contribute to
|
||||
the average. The final averaged quantities are generated every
|
||||
<I>Nfreq</I> timesteps. The average is over <I>Nrepeat</I> quantities, computed
|
||||
in the preceding portion of the simulation every <I>Nevery</I> timesteps.
|
||||
<I>Nfreq</I> must be a multiple of <I>Nevery</I> and <I>Nevery</I> must be non-zero
|
||||
even if <I>Nrepeat</I> is 1. Also, the timesteps contributing to the
|
||||
average value cannot overlap, i.e. Nfreq > (Nrepeat-1)*Nevery is
|
||||
required.
|
||||
the average. The final averaged quantities are generated on timesteps
|
||||
that are a multiples of <I>Nfreq</I>. The average is over <I>Nrepeat</I>
|
||||
quantities, computed in the preceding portion of the simulation every
|
||||
<I>Nevery</I> timesteps. <I>Nfreq</I> must be a multiple of <I>Nevery</I> and
|
||||
<I>Nevery</I> must be non-zero even if <I>Nrepeat</I> is 1. Also, the timesteps
|
||||
contributing to the average value cannot overlap, i.e. Nfreq >
|
||||
(Nrepeat-1)*Nevery is required.
|
||||
</P>
|
||||
<P>For example, if Nevery=2, Nrepeat=6, and Nfreq=100, then values on
|
||||
timesteps 90,92,94,96,98,100 will be used to compute the final average
|
||||
|
|
|
@ -109,13 +109,13 @@ so be careful to use reasonable numbers of bins.
|
|||
|
||||
The {Nevery}, {Nrepeat}, and {Nfreq} arguments specify on what
|
||||
timesteps the input values will be used to bin them and contribute to
|
||||
the average. The final averaged quantities are generated every
|
||||
{Nfreq} timesteps. The average is over {Nrepeat} quantities, computed
|
||||
in the preceding portion of the simulation every {Nevery} timesteps.
|
||||
{Nfreq} must be a multiple of {Nevery} and {Nevery} must be non-zero
|
||||
even if {Nrepeat} is 1. Also, the timesteps contributing to the
|
||||
average value cannot overlap, i.e. Nfreq > (Nrepeat-1)*Nevery is
|
||||
required.
|
||||
the average. The final averaged quantities are generated on timesteps
|
||||
that are a multiples of {Nfreq}. The average is over {Nrepeat}
|
||||
quantities, computed in the preceding portion of the simulation every
|
||||
{Nevery} timesteps. {Nfreq} must be a multiple of {Nevery} and
|
||||
{Nevery} must be non-zero even if {Nrepeat} is 1. Also, the timesteps
|
||||
contributing to the average value cannot overlap, i.e. Nfreq >
|
||||
(Nrepeat-1)*Nevery is required.
|
||||
|
||||
For example, if Nevery=2, Nrepeat=6, and Nfreq=100, then values on
|
||||
timesteps 90,92,94,96,98,100 will be used to compute the final average
|
||||
|
|
|
@ -123,12 +123,13 @@ fix 2 all ave/time 100 1 100 c_myRDF[1] c_myRDF[2] c_myRDF[3] file tmp2.rdf mode
|
|||
|
||||
<P>The <I>Nevery</I>, <I>Nrepeat</I>, and <I>Nfreq</I> arguments specify on what
|
||||
timesteps the input values will be used in order to contribute to the
|
||||
average. The final averaged quantities are generated every <I>Nfreq</I>
|
||||
timesteps. The average is over <I>Nrepeat</I> quantities, computed in the
|
||||
preceding portion of the simulation every <I>Nevery</I> timesteps. <I>Nfreq</I>
|
||||
must be a multiple of <I>Nevery</I> and <I>Nevery</I> must be non-zero even if
|
||||
<I>Nrepeat</I> is 1. Also, the timesteps contributing to the average value
|
||||
cannot overlap, i.e. Nfreq > (Nrepeat-1)*Nevery is required.
|
||||
average. The final averaged quantities are generated on timesteps
|
||||
that are a mlutiple of <I>Nfreq</I>. The average is over <I>Nrepeat</I>
|
||||
quantities, computed in the preceding portion of the simulation every
|
||||
<I>Nevery</I> timesteps. <I>Nfreq</I> must be a multiple of <I>Nevery</I> and
|
||||
<I>Nevery</I> must be non-zero even if <I>Nrepeat</I> is 1. Also, the timesteps
|
||||
contributing to the average value cannot overlap, i.e. Nfreq >
|
||||
(Nrepeat-1)*Nevery is required.
|
||||
</P>
|
||||
<P>For example, if Nevery=2, Nrepeat=6, and Nfreq=100, then values on
|
||||
timesteps 90,92,94,96,98,100 will be used to compute the final average
|
||||
|
|
|
@ -110,12 +110,13 @@ fix 2 all ave/time 100 1 100 c_myRDF\[1\] c_myRDF\[2\] c_myRDF\[3\] file tmp2.rd
|
|||
|
||||
The {Nevery}, {Nrepeat}, and {Nfreq} arguments specify on what
|
||||
timesteps the input values will be used in order to contribute to the
|
||||
average. The final averaged quantities are generated every {Nfreq}
|
||||
timesteps. The average is over {Nrepeat} quantities, computed in the
|
||||
preceding portion of the simulation every {Nevery} timesteps. {Nfreq}
|
||||
must be a multiple of {Nevery} and {Nevery} must be non-zero even if
|
||||
{Nrepeat} is 1. Also, the timesteps contributing to the average value
|
||||
cannot overlap, i.e. Nfreq > (Nrepeat-1)*Nevery is required.
|
||||
average. The final averaged quantities are generated on timesteps
|
||||
that are a mlutiple of {Nfreq}. The average is over {Nrepeat}
|
||||
quantities, computed in the preceding portion of the simulation every
|
||||
{Nevery} timesteps. {Nfreq} must be a multiple of {Nevery} and
|
||||
{Nevery} must be non-zero even if {Nrepeat} is 1. Also, the timesteps
|
||||
contributing to the average value cannot overlap, i.e. Nfreq >
|
||||
(Nrepeat-1)*Nevery is required.
|
||||
|
||||
For example, if Nevery=2, Nrepeat=6, and Nfreq=100, then values on
|
||||
timesteps 90,92,94,96,98,100 will be used to compute the final average
|
||||
|
|
Loading…
Reference in New Issue