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replace parsed-literal with code-block where applicable. improve typesetting

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This commit is contained in:
Axel Kohlmeyer
2020-02-22 13:50:35 -05:00
parent cdf795652a
commit ac639fe629
1 changed files with 13 additions and 13 deletions
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26
doc/src/python.rst
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@ -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 input 2 v_x 20.0 return v_f format fff file force.py
python pForce invoke python pForce invoke
@ -58,7 +58,7 @@ Examples
python factorial input 1 myN return v_fac format ii here """ python factorial input 1 myN return v_fac format ii here """
def factorial(n): def factorial(n):
if n == 1: return 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 """ python loop input 1 SELF return v_value format pf here """
@ -69,10 +69,10 @@ Examples
# loop N times, increasing cutoff each time # loop N times, increasing cutoff each time
for i in range(N): 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.set_variable("cut",cut) # set a variable in LAMMPS
lmp.command("pair_style lj/cut ${cut}") # LAMMPS commands 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") 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: example these two commands would be self-consistent:
.. parsed-literal:: .. code-block:: LAMMPS
variable foo python myMultiply variable foo python myMultiply
python myMultiply return v_foo format f file funcs.py 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: outside the function:
.. parsed-literal:: .. code-block:: python
nsteplast = -1 nsteplast = -1
nvaluelast = 0 nvaluelast = 0
@ -328,7 +328,7 @@ a pointer to LAMMPS. The mechanism for doing this in your
Python function is as follows: Python function is as follows:
.. parsed-literal:: .. code-block:: python
def foo(lmpptr,...): def foo(lmpptr,...):
from lammps import lammps 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: which loads and runs the following function from examples/python/funcs.py:
.. parsed-literal:: .. code-block:: python
def loop(N,cut0,thresh,lmpptr): def loop(N,cut0,thresh,lmpptr):
print "LOOP ARGS",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() natoms = lmp.get_natoms()
for i in range(N): 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.set_variable("cut",cut) # set a variable in LAMMPS
lmp.command("pair_style lj/cut ${cut}") # LAMMPS command lmp.command("pair_style lj/cut ${cut}") # LAMMPS command
#lmp.command("pair_style lj/cut %d" % cut) # LAMMPS command option #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 lmp.command("run 10") # ditto
pe = lmp.extract_compute("thermo_pe",0,0) # extract total PE from LAMMPS pe = lmp.extract_compute("thermo_pe",0,0) # extract total PE from LAMMPS
print "PE",pe/natoms,thresh print "PE",pe/natoms,thresh
@ -486,7 +486,7 @@ in your Python function is failing, because you have not initialized the
variable foo: variable foo:
.. parsed-literal:: .. code-block:: python
foo += 1 foo += 1
@ -494,7 +494,7 @@ If you put one (or more) statements inside a "try" statement,
like this: like this:
.. parsed-literal:: .. code-block:: python
import exceptions import exceptions
print "Inside simple function" print "Inside simple function"