lammps-sys 0.6.0

Generates bindings to LAMMPS' C interface (with optional builds from source)
Documentation
/* -*- c++ -*- ----------------------------------------------------------
   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
   http://lammps.sandia.gov, Sandia National Laboratories
   Steve Plimpton, sjplimp@sandia.gov

   Copyright (2003) Sandia Corporation.  Under the terms of Contract
   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
   certain rights in this software.  This software is distributed under
   the GNU General Public License.

   See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */

#ifndef LMP_PYTHON_H
#define LMP_PYTHON_H

#include "pointers.h"

namespace LAMMPS_NS {

class PythonInterface {
public:
  virtual ~PythonInterface();
  virtual void command(int, char **) = 0;
  virtual void invoke_function(int, char *) = 0;
  virtual int find(char *) = 0;
  virtual int variable_match(char *, char *, int) = 0;
  virtual char * long_string(int ifunc) = 0;
  virtual int execute_string(char *) = 0;
  virtual int execute_file(char *) = 0;
};

class Python : protected Pointers {
public:
  Python(class LAMMPS *);
  ~Python();

  void command(int, char **);
  void invoke_function(int, char *);
  int find(char *);
  int variable_match(char *, char *, int);
  char * long_string(int ifunc);
  int execute_string(char *);
  int execute_file(char *);

  bool is_enabled() const;
  void init();

private:
  PythonInterface * impl;
};

}
#endif

/* ERROR/WARNING messages:

E: Python support missing! Compile with PYTHON package installed!

UNDOCUMENTED

U: Invalid python command

Self-explanatory.  Check the input script syntax and compare to the
documentation for the command.  You can use -echo screen as a
command-line option when running LAMMPS to see the offending line.

U: Python invoke of undefined function

Cannot invoke a function that has not been previously defined.

U: Python variable does not match Python function

This matching is defined by the python-style variable and the python
command.

U: Cannot embed Python when also extending Python with LAMMPS

When running LAMMPS via Python through the LAMMPS library interface
you cannot also user the input script python command.

U: Could not initialize embedded Python

The main module in Python was not accessible.

U: Could not open Python file

The specified file of Python code cannot be opened.  Check that the
path and name are correct.

U: Could not process Python file

The Python code in the specified file was not run successfully by
Python, probably due to errors in the Python code.

U: Could not process Python string

The Python code in the here string was not run successfully by Python,
probably due to errors in the Python code.

U: Could not find Python function

The provided Python code was run successfully, but it not
define a callable function with the required name.

U: Python function is not callable

The provided Python code was run successfully, but it not
define a callable function with the required name.

U: Could not create Python function arguments

This is an internal Python error, possibly because the number
of inputs to the function is too large.

U: Could not evaluate Python function input variable

Self-explanatory.

U: Python function evaluation failed

The Python function did not run successfully and/or did not return a
value (if it is supposed to return a value).  This is probably due to
some error condition in the function.

*/