From ac639fe6298b532a28fabae67441454ae875613b Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Sat, 22 Feb 2020 13:50:35 -0500 Subject: [PATCH] replace parsed-literal with code-block where applicable. improve typesetting --- doc/src/python.rst | 26 +++++++++++++------------- 1 file changed, 13 insertions(+), 13 deletions(-) diff --git a/doc/src/python.rst b/doc/src/python.rst index 055b442d5c..a92b2d8446 100644 --- a/doc/src/python.rst +++ b/doc/src/python.rst @@ -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 - lmp.set_variable("cut",cut) # set a variable in LAMMPS + 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"