replace parsed-literal with code-block where applicable. improve typesetting (ac639fe6) · Commits · 郑智淋 / lammps

doc/src/python.rst

+13 −13

Original line number	Diff line number	Diff line
		@@ -50,7 +50,7 @@ Examples
		""""""""


		.. parsed-literal::
		.. code-block:: LAMMPS

		python pForce input 2 v_x 20.0 return v_f format fff file force.py
		python pForce invoke
		@@ -58,7 +58,7 @@ Examples
		python factorial input 1 myN return v_fac format ii here """
		def factorial(n):
		if n == 1: return n
		return n \* factorial(n-1)
		return n * factorial(n-1)
		"""

		python loop input 1 SELF return v_value format pf here """
		@@ -69,10 +69,10 @@ Examples
		# loop N times, increasing cutoff each time

		for i in range(N):
		cut = cut0 + i\*0.1
		cut = cut0 + i*0.1
		lmp.set_variable("cut",cut) # set a variable in LAMMPS
		lmp.command("pair_style lj/cut ${cut}") # LAMMPS commands
		lmp.command("pair_coeff \* \* 1.0 1.0")
		lmp.command("pair_coeff * * 1.0 1.0")
		lmp.command("run 100")
		"""

		@@ -163,7 +163,7 @@ variable. This must match the func setting for this command. For
		example these two commands would be self-consistent:


		.. parsed-literal::
		.. code-block:: LAMMPS

		variable foo python myMultiply
		python myMultiply return v_foo format f file funcs.py
		@@ -262,7 +262,7 @@ consider this function loaded with two global variables defined
		outside the function:


		.. parsed-literal::
		.. code-block:: python

		nsteplast = -1
		nvaluelast = 0
		@@ -328,7 +328,7 @@ a pointer to LAMMPS. The mechanism for doing this in your
		Python function is as follows:


		.. parsed-literal::
		.. code-block:: python

		def foo(lmpptr,...):
		from lammps import lammps
		@@ -364,7 +364,7 @@ A more interesting example is in the examples/python/in.python script
		which loads and runs the following function from examples/python/funcs.py:


		.. parsed-literal::
		.. code-block:: python

		def loop(N,cut0,thresh,lmpptr):
		print "LOOP ARGS",N,cut0,thresh,lmpptr
		@@ -373,13 +373,13 @@ which loads and runs the following function from examples/python/funcs.py:
		natoms = lmp.get_natoms()

		for i in range(N):
		cut = cut0 + i\*0.1
		cut = cut0 + i*0.1

		lmp.set_variable("cut",cut) # set a variable in LAMMPS
		lmp.command("pair_style lj/cut ${cut}") # LAMMPS command
		#lmp.command("pair_style lj/cut %d" % cut) # LAMMPS command option

		lmp.command("pair_coeff \* \* 1.0 1.0") # ditto
		lmp.command("pair_coeff * * 1.0 1.0") # ditto
		lmp.command("run 10") # ditto
		pe = lmp.extract_compute("thermo_pe",0,0) # extract total PE from LAMMPS
		print "PE",pe/natoms,thresh
		@@ -486,7 +486,7 @@ in your Python function is failing, because you have not initialized the
		variable foo:


		.. parsed-literal::
		.. code-block:: python

		foo += 1

		@@ -494,7 +494,7 @@ If you put one (or more) statements inside a "try" statement,
		like this:


		.. parsed-literal::
		.. code-block:: python

		import exceptions
		print "Inside simple function"

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