forked from lijiext/lammps
73 lines
1.8 KiB
Plaintext
73 lines
1.8 KiB
Plaintext
.. index:: thermo
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thermo command
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==============
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Syntax
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""""""
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.. parsed-literal::
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thermo N
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* N = output thermodynamics every N timesteps
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* N can be a variable (see below)
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Examples
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""""""""
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.. parsed-literal::
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thermo 100
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Description
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"""""""""""
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Compute and print thermodynamic info (e.g. temperature, energy,
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pressure) on timesteps that are a multiple of N and at the beginning
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and end of a simulation. A value of 0 will only print thermodynamics
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at the beginning and end.
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The content and format of what is printed is controlled by the
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:doc:`thermo_style <thermo_style>` and
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:doc:`thermo_modify <thermo_modify>` commands.
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Instead of a numeric value, N can be specifed as an :doc:`equal-style variable <variable>`, which should be specified as v_name, where
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name is the variable name. In this case, the variable is evaluated at
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the beginning of a run to determine the next timestep at which
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thermodynamic info will be written out. On that timestep, the
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variable will be evaluated again to determine the next timestep, etc.
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Thus the variable should return timestep values. See the stagger()
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and logfreq() and stride() math functions for :doc:`equal-style variables <variable>`, as examples of useful functions to use in
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this context. Other similar math functions could easily be added as
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options for :doc:`equal-style variables <variable>`.
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For example, the following commands will output thermodynamic info at
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timesteps 0,10,20,30,100,200,300,1000,2000,etc:
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.. parsed-literal::
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variable s equal logfreq(10,3,10)
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thermo v_s
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Restrictions
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""""""""""""
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none
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Related commands
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""""""""""""""""
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:doc:`thermo_style <thermo_style>`, :doc:`thermo_modify <thermo_modify>`
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Default
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"""""""
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.. parsed-literal::
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thermo 0
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.. _lws: http://lammps.sandia.gov
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.. _ld: Manual.html
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.. _lc: Section_commands.html#comm
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