forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1107 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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15f0990332
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@ -34,13 +34,15 @@ be accessed by any command that uses global computes, e.g. the <A HREF = "therml
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custom</A> command or <A HREF = "fix_ave_time.html">fix ave/time</A>
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custom</A> command or <A HREF = "fix_ave_time.html">fix ave/time</A>
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command or by a <A HREF = "variable.html">variable</A> command.
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command or by a <A HREF = "variable.html">variable</A> command.
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</P>
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</P>
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<P>Unlike the "compute sum/atom" command, the result of this is not a
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<P>Unlike the <A HREF = "compute_sum_atom.html">compute sum/atom</A> command, the
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per-atom quantity, but a global scalar or vector. If the other
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result of this is not a per-atom quantity, but a global scalar or
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computes each generate a scalar value per atom, this compute will
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vector. If the other computes each generate a scalar value per atom,
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generate a single scalar value. If the other computes each generate a
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this compute will generate a single scalar value. If the other
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vector of values per atom, this compute will generate a vector of
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computes each generate a vector of values per atom, this compute will
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values. In the latter case, all the other computes must generate
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generate a vector of values where each value is the sum across atoms
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vectors of the same size.
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of the corresponding value produced by the other computes. In the
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latter case, all the other computes must generate per-atom vectors of
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the same size.
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</P>
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</P>
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<P><B>Restrictions:</B> none
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<P><B>Restrictions:</B> none
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</P>
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</P>
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@ -31,13 +31,15 @@ be accessed by any command that uses global computes, e.g. the "thermo
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custom"_therml_style.html command or "fix ave/time"_fix_ave_time.html
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custom"_therml_style.html command or "fix ave/time"_fix_ave_time.html
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command or by a "variable"_variable.html command.
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command or by a "variable"_variable.html command.
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Unlike the "compute sum/atom" command, the result of this is not a
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Unlike the "compute sum/atom"_compute_sum_atom.html command, the
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per-atom quantity, but a global scalar or vector. If the other
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result of this is not a per-atom quantity, but a global scalar or
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computes each generate a scalar value per atom, this compute will
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vector. If the other computes each generate a scalar value per atom,
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generate a single scalar value. If the other computes each generate a
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this compute will generate a single scalar value. If the other
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vector of values per atom, this compute will generate a vector of
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computes each generate a vector of values per atom, this compute will
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values. In the latter case, all the other computes must generate
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generate a vector of values where each value is the sum across atoms
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vectors of the same size.
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of the corresponding value produced by the other computes. In the
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latter case, all the other computes must generate per-atom vectors of
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the same size.
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[Restrictions:] none
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[Restrictions:] none
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@ -38,7 +38,7 @@ other computes that it invokes. E.g. if the other computes each
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generate a scalar value per atom, so will this compute. If the other
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generate a scalar value per atom, so will this compute. If the other
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computes each generate a vector of values per atom, so will this
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computes each generate a vector of values per atom, so will this
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compute. In the latter case, all the other computes must generate
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compute. In the latter case, all the other computes must generate
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vectors of the same size.
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per-atom vectors of the same size.
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</P>
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</P>
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<P><B>Restrictions:</B> none
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<P><B>Restrictions:</B> none
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</P>
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</P>
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@ -35,7 +35,7 @@ other computes that it invokes. E.g. if the other computes each
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generate a scalar value per atom, so will this compute. If the other
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generate a scalar value per atom, so will this compute. If the other
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computes each generate a vector of values per atom, so will this
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computes each generate a vector of values per atom, so will this
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compute. In the latter case, all the other computes must generate
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compute. In the latter case, all the other computes must generate
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vectors of the same size.
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per-atom vectors of the same size.
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[Restrictions:] none
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[Restrictions:] none
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