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LAMMPS Documentation
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LAMMPS Documentation
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====================
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====================
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14 Mar 2016 version
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22 Mar 2016 version
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-------------------
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-------------------
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Version info:
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Version info:
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@ -78,9 +78,12 @@ results from a unitless LJ simulation into physical quantities.
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* density = mass/volume, where rho* = rho sigma^dim
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* density = mass/volume, where rho* = rho sigma^dim
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Note that for LJ units, the default mode of thermodyamic output via
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Note that for LJ units, the default mode of thermodyamic output via
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the :doc:`thermo_style <thermo_style>` command is to normalize energies
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the :doc:`thermo_style <thermo_style>` command is to normalize all
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by the number of atoms, i.e. energy/atom. This can be changed via the
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extensive quantities by the number of atoms. E.g. potential energy is
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:doc:`thermo_modify norm <thermo_modify>` command.
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extensive because it is summed over atoms, so it is output as
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energy/atom. Temperature is intensive since it is already normalized
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by the number of atoms, so it is output as-is. This behavior can be
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changed via the :doc:`thermo_modify norm <thermo_modify>` command.
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For style *real*, these are the units:
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For style *real*, these are the units:
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@ -192,9 +192,12 @@ results from a unitless LJ simulation into physical quantities.</p>
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<li>density = mass/volume, where rho* = rho sigma^dim</li>
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<li>density = mass/volume, where rho* = rho sigma^dim</li>
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</ul>
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</ul>
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<p>Note that for LJ units, the default mode of thermodyamic output via
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<p>Note that for LJ units, the default mode of thermodyamic output via
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the <a class="reference internal" href="thermo_style.html"><em>thermo_style</em></a> command is to normalize energies
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the <a class="reference internal" href="thermo_style.html"><em>thermo_style</em></a> command is to normalize all
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by the number of atoms, i.e. energy/atom. This can be changed via the
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extensive quantities by the number of atoms. E.g. potential energy is
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<a class="reference internal" href="thermo_modify.html"><em>thermo_modify norm</em></a> command.</p>
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extensive because it is summed over atoms, so it is output as
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energy/atom. Temperature is intensive since it is already normalized
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by the number of atoms, so it is output as-is. This behavior can be
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changed via the <a class="reference internal" href="thermo_modify.html"><em>thermo_modify norm</em></a> command.</p>
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<p>For style <em>real</em>, these are the units:</p>
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<p>For style <em>real</em>, these are the units:</p>
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<ul class="simple">
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<ul class="simple">
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<li>mass = grams/mole</li>
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<li>mass = grams/mole</li>
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@ -74,9 +74,12 @@ electric field = force/charge, where E* = E (4 pi perm0 sigma epsilon)^1/2 sigma
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density = mass/volume, where rho* = rho sigma^dim :ul
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density = mass/volume, where rho* = rho sigma^dim :ul
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Note that for LJ units, the default mode of thermodyamic output via
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Note that for LJ units, the default mode of thermodyamic output via
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the "thermo_style"_thermo_style.html command is to normalize energies
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the "thermo_style"_thermo_style.html command is to normalize all
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by the number of atoms, i.e. energy/atom. This can be changed via the
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extensive quantities by the number of atoms. E.g. potential energy is
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"thermo_modify norm"_thermo_modify.html command.
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extensive because it is summed over atoms, so it is output as
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energy/atom. Temperature is intensive since it is already normalized
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by the number of atoms, so it is output as-is. This behavior can be
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changed via the "thermo_modify norm"_thermo_modify.html command.
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For style {real}, these are the units:
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For style {real}, these are the units:
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