remove doc text explaining restrictions that are lifted with the changes in this branch

This commit is contained in:
Axel Kohlmeyer 2017-04-14 12:57:35 -04:00
parent 3cbf4f3b58
commit c9bc141335
3 changed files with 4 additions and 23 deletions

View File

@ -118,11 +118,6 @@ check which version of Python you have installed, by simply typing
11.2 Overview of using Python from a LAMMPS script :link(py_2),h4 11.2 Overview of using Python from a LAMMPS script :link(py_2),h4
NOTE: It is not currently possible to use the "python"_python.html
command described in this section with Python 3, only with Python 2.
The C API changed from Python 2 to 3 and the LAMMPS code is not
compatible with both.
LAMMPS has a "python"_python.html command which can be used in an LAMMPS has a "python"_python.html command which can be used in an
input script to define and execute a Python function that you write input script to define and execute a Python function that you write
the code for. The Python function can also be assigned to a LAMMPS the code for. The Python function can also be assigned to a LAMMPS

View File

@ -50,7 +50,7 @@ def factorial(n):
return n * factorial(n-1) return n * factorial(n-1)
""" :pre """ :pre
python loop input 1 SELF return v_value format -f here """ python loop input 1 SELF return v_value format pf here """
def loop(lmpptr,N,cut0): def loop(lmpptr,N,cut0):
from lammps import lammps from lammps import lammps
lmp = lammps(ptr=lmpptr) :pre lmp = lammps(ptr=lmpptr) :pre
@ -59,7 +59,7 @@ def loop(lmpptr,N,cut0):
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")
@ -67,11 +67,6 @@ def loop(lmpptr,N,cut0):
[Description:] [Description:]
NOTE: It is not currently possible to use the "python"_python.html
command described in this section with Python 3, only with Python 2.
The C API changed from Python 2 to 3 and the LAMMPS code is not
compatible with both.
Define a Python function or execute a previously defined function. Define a Python function or execute a previously defined function.
Arguments, including LAMMPS variables, can be passed to the function Arguments, including LAMMPS variables, can be passed to the function
from the LAMMPS input script and a value returned by the Python from the LAMMPS input script and a value returned by the Python
@ -477,16 +472,7 @@ python"_Section_python.html. Note that it is important that the
stand-alone LAMMPS executable and the LAMMPS shared library be stand-alone LAMMPS executable and the LAMMPS shared library be
consistent (built from the same source code files) in order for this consistent (built from the same source code files) in order for this
to work. If the two have been built at different times using to work. If the two have been built at different times using
different source files, problems may occur. different source files, problems may occur.
As described above, you can use the python command to invoke a Python
function which calls back to LAMMPS through its Python-wrapped library
interface. However you cannot do the opposite. I.e. you cannot call
LAMMPS from Python and invoke the python command to "callback" to
Python and execute a Python function. LAMMPS will generate an error
if you try to do that. Note that we think there actually should be a
way to do that, but haven't yet been able to figure out how to do it
successfully.
[Related commands:] [Related commands:]

View File

@ -55,7 +55,7 @@ using the generated {auto} Makefile.
cd $LAMMPS_DIR/src :pre cd $LAMMPS_DIR/src :pre
# generate custom Makefile # generate custom Makefile
python2 Make.py -jpg -png -s ffmpeg exceptions -m mpi -a file :pre python Make.py -jpg -png -s ffmpeg exceptions -m mpi -a file :pre
# add packages if necessary # add packages if necessary
make yes-MOLECULE :pre make yes-MOLECULE :pre