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Allow fix python to only execute every N steps

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Richard Berger
2017-05-12 00:29:58 -04:00
parent 93f6033061
commit c4d0f07093
3 changed files with 18 additions and 12 deletions
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13
doc/src/fix_python.txt
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@ -10,13 +10,14 @@ fix python command :h3
[Syntax:]
fix ID group-ID python callback function_name :pre
fix ID group-ID python N callback function_name :pre
ID, group-ID are ignored by this fix :ulb,l
python = style name of this fix command :l
N = execute every N steps :l
callback = {post_force} or {end_of_step} :l
{post_force} = callback after force computations on atoms
{end_of_step} = callback after each time step :pre
{post_force} = callback after force computations on atoms every N time steps
{end_of_step} = callback after each N time steps :pre
:ule
[Examples:]
@ -35,14 +36,14 @@ def end_of_step_callback(lammps_ptr):
# access LAMMPS state using Python interface
""" :pre
fix pf all python post_force post_force_callback
fix eos all python end_of_step end_of_step_callback :pre
fix pf all python 50 post_force post_force_callback
fix eos all python 50 end_of_step end_of_step_callback :pre
[Description:]
This fix allows you to call a Python function during a simulation run.
The callback is either executed after forces have been applied to atoms
or at the end of each time step.
or at the end of every N time steps.
Callback functions must be declared in the global scope of the
active Python interpreter. This can either be done by defining it