Rename fix python to fix python/invoke (bcc5f49d) · Commits · 郑智淋 / lammps

doc/src/Section_commands.txt

+2 −2

Original line number	Diff line number	Diff line
		@@ -585,7 +585,6 @@ USER-INTEL, k = KOKKOS, o = USER-OMP, t = OPT.
		"lineforce"_fix_lineforce.html,
		"momentum (k)"_fix_momentum.html,
		"move"_fix_move.html,
		"move/python"_fix_move_python.html,
		"mscg"_fix_mscg.html,
		"msst"_fix_msst.html,
		"neb"_fix_neb.html,
		@@ -621,7 +620,8 @@ USER-INTEL, k = KOKKOS, o = USER-OMP, t = OPT.
		"press/berendsen"_fix_press_berendsen.html,
		"print"_fix_print.html,
		"property/atom"_fix_property_atom.html,
		"python"_fix_python.html,
		"python/invoke"_fix_python_invoke.html,
		"python/move"_fix_python_move.html,
		"qeq/comb (o)"_fix_qeq_comb.html,
		"qeq/dynamic"_fix_qeq.html,
		"qeq/fire"_fix_qeq.html,

+2 −2

Original line number	Diff line number	Diff line
		@@ -123,7 +123,7 @@ code directly from an input script:

		"python"_python.html
		"variable python"_variable.html
		"fix python"_fix_python.html
		"fix python/invoke"_fix_python_invoke.html
		"pair_style python"_pair_python.html :ul

		The "python"_python.html command which can be used to define and
		@@ -165,7 +165,7 @@ doc page for its python-style variables for more info, including
		examples of Python code you can write for both pure Python operations
		and callbacks to LAMMPS.

		The "fix python"_fix_python.html command can execute
		The "fix python/invoke"_fix_python_invoke.html command can execute
		Python code at selected timesteps during a simulation run.

		The "pair_style python"_pair_python command allows you to define

+5 −5

Original line number	Diff line number	Diff line
		@@ -6,14 +6,14 @@

		:line

		fix python command :h3
		fix python/invoke command :h3

		[Syntax:]

		fix ID group-ID python N callback function_name :pre
		fix ID group-ID python/invoke N callback function_name :pre

		ID, group-ID are ignored by this fix :ulb,l
		python = style name of this fix command :l
		python/invoke = 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 every N time steps
		@@ -36,8 +36,8 @@ def end_of_step_callback(lammps_ptr):
		# access LAMMPS state using Python interface
		""" :pre

		fix pf all python 50 post_force post_force_callback
		fix eos all python 50 end_of_step end_of_step_callback :pre
		fix pf all python/invoke 50 post_force post_force_callback
		fix eos all python/invoke 50 end_of_step end_of_step_callback :pre

		[Description:]

+6 −6

Original line number	Diff line number	Diff line
		@@ -6,22 +6,22 @@

		:line

		fix move/python command :h3
		fix python/move command :h3

		[Syntax:]

		fix move/python pymodule.CLASS :pre
		fix python/move pymodule.CLASS :pre

		pymodule.CLASS = use class [CLASS] in module/file [pymodule] to compute how to move atoms

		[Examples:]

		fix 1 all move/python py_nve.NVE
		fix 1 all move/python py_nve.NVE_OPT :pre
		fix 1 all python/move py_nve.NVE
		fix 1 all python/move py_nve.NVE_OPT :pre

		[Description:]

		The {move/python} fix style provides a way to define ways how particles
		The {python/move} fix style provides a way to define ways how particles
		are moved during an MD run from python script code, that is loaded from
		a file into LAMMPS and executed at the various steps where other fixes
		can be executed. This python script must contain specific python class
		@@ -96,7 +96,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.

		[Related commands:]

		"fix nve"_fix_nve.html, "fix python"_fix_python.html
		"fix nve"_fix_nve.html, "fix python/invoke"_fix_python_invoke.html

		[Default:] none

+2 −1