forked from lijiext/lammps
60 lines
1.7 KiB
Plaintext
60 lines
1.7 KiB
Plaintext
"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
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:link(lws,http://lammps.sandia.gov)
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:link(ld,Manual.html)
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:link(lc,Section_commands.html#comm)
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:line
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thermo command :h3
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[Syntax:]
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thermo N :pre
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N = output thermodynamics every N timesteps
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N can be a variable (see below) :ul
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[Examples:]
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thermo 100 :pre
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[Description:]
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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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"thermo_style"_thermo_style.html and
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"thermo_modify"_thermo_modify.html commands.
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Instead of a numeric value, N can be specifed as an "equal-style
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variable"_variable.html, 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 "equal-style
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variables"_variable.html, 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 "equal-style variables"_variable.html.
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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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variable s equal logfreq(10,3,10)
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thermo v_s :pre
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[Restrictions:] none
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[Related commands:]
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"thermo_style"_thermo_style.html, "thermo_modify"_thermo_modify.html
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[Default:]
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thermo 0 :pre
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