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@ -138,6 +138,7 @@ commands)
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<UL><LI> pairwise potentials: Lennard-Jones, Buckingham, Morse, Yukawa, soft, class 2 (COMPASS), tabulated
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<UL><LI> pairwise potentials: Lennard-Jones, Buckingham, Morse, Yukawa, soft, class 2 (COMPASS), tabulated
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<LI> charged pairwise potentials: Coulombic, point-dipole
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<LI> charged pairwise potentials: Coulombic, point-dipole
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<LI> manybody potentials: EAM, Finnis/Sinclair EAM, modified EAM (MEAM), embedded ion method (EIM), Stillinger-Weber, Tersoff, AI-REBO, ReaxFF, COMB
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<LI> manybody potentials: EAM, Finnis/Sinclair EAM, modified EAM (MEAM), embedded ion method (EIM), Stillinger-Weber, Tersoff, AI-REBO, ReaxFF, COMB
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<LI> electron force field (eFF)
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<LI> coarse-grained potentials: DPD, GayBerne, REsquared, colloidal, DLVO
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<LI> coarse-grained potentials: DPD, GayBerne, REsquared, colloidal, DLVO
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<LI> mesoscopic potentials: granular, Peridynamics
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<LI> mesoscopic potentials: granular, Peridynamics
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<LI> bond potentials: harmonic, FENE, Morse, nonlinear, class 2, quartic (breakable)
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<LI> bond potentials: harmonic, FENE, Morse, nonlinear, class 2, quartic (breakable)
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@ -25,16 +25,17 @@
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<P><B>Description:</B>
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<P><B>Description:</B>
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</P>
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</P>
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<P>Define a computation that calculates the temperature of a group of
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<P>Define a computation that calculates the temperature of a group of
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nuclei and electrons using the electron force field, after subtracting
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nuclei and electrons in the <A HREF = "pair_eff.html">electron force field</A>
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out a streaming velocity induced by the simulation box changing size
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model, after subtracting out a streaming velocity induced by the
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and/or shape, for example in a non-equilibrium MD (NEMD) simulation.
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simulation box changing size and/or shape, for example in a
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The size/shape change is induced by use of the <A HREF = "fix_deform_eff.html">fix
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non-equilibrium MD (NEMD) simulation. The size/shape change is
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deform/eff</A> command. A compute of this style is
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induced by use of the <A HREF = "fix_deform_eff.html">fix deform/eff</A> command. A
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created by the <A HREF = "fix_nvt_sllod_eff.html">fix nvt/sllod/eff</A> command to
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compute of this style is created by the <A HREF = "fix_nvt_sllod_eff.html">fix
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compute the thermal temperature of atoms for thermostatting purposes.
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nvt/sllod/eff</A> command to compute the thermal
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A compute of this style can also be used by any command that computes
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temperature of atoms for thermostatting purposes. A compute of this
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a temperature, e.g. <A HREF = "thermo_modify.html">thermo_modify</A>, <A HREF = "fix_nh.html">fix
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style can also be used by any command that computes a temperature,
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npt/eff</A>, etc.
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e.g. <A HREF = "thermo_modify.html">thermo_modify</A>, <A HREF = "fix_nh.html">fix npt/eff</A>,
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etc.
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</P>
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</P>
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<P>The calculation performed by this compute is exactly like that
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<P>The calculation performed by this compute is exactly like that
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described by the <A HREF = "compute_temp_deform.html">compute temp/deform</A>
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described by the <A HREF = "compute_temp_deform.html">compute temp/deform</A>
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@ -26,9 +26,10 @@
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<P><B>Description:</B>
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<P><B>Description:</B>
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</P>
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</P>
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<P>Define a computation that calculates the temperature of a group of
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<P>Define a computation that calculates the temperature of a group of
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nuclei and electrons wihtin a geometric region using the electron
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nuclei and electrons in the <A HREF = "pair_eff.html">electron force field</A>
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force field. A compute of this style can be used by commands that
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model, within a geometric region using the electron force field. A
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compute a temperature, e.g. <A HREF = "thermo_modify.html">thermo_modify</A>.
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compute of this style can be used by commands that compute a
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temperature, e.g. <A HREF = "thermo_modify.html">thermo_modify</A>.
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</P>
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</P>
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<P>The operation of this compute is exactly like that described by the
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<P>The operation of this compute is exactly like that described by the
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<A HREF = "compute_temp_region.html">compute temp/region</A> command, where the
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<A HREF = "compute_temp_region.html">compute temp/region</A> command, where the
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