replace parsed-literal with code-block where applicable. improve typesetting
This commit is contained in:
@ -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"
|
||||
|
||||
Reference in New Issue
Block a user