/* -*- 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_IMPL_H #define LMP_PYTHON_IMPL_H #include "pointers.h" #include "lmppython.h" namespace LAMMPS_NS { class PythonImpl : protected Pointers, public PythonInterface { public: bool external_interpreter; PythonImpl(class LAMMPS *); ~PythonImpl(); void command(int, char **); void invoke_function(int, char *); int find(char *); int variable_match(char *, char *, int); char *long_string(int); int execute_string(char *); int execute_file(char *); private: int ninput,noutput,length_longstr; char **istr; char *ostr,*format; void *pyMain; struct PyFunc { char *name; int ninput,noutput; int *itype,*ivarflag; int *ivalue; double *dvalue; char **svalue; int otype; char *ovarname; char *longstr; int length_longstr; void *pFunc; }; PyFunc *pfuncs; int nfunc; int create_entry(char *); void deallocate(int); }; } #endif /* ERROR/WARNING messages: E: Could not initialize embedded Python The main module in Python was not accessible. E: 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. E: Python invoke of undefined function Cannot invoke a function that has not been previously defined. E: Python variable does not match Python function This matching is defined by the python-style variable and the python command. E: Could not process Python source command UNDOCUMENTED E: Could not open Python file The specified file of Python code cannot be opened. Check that the path and name are correct. E: 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. E: 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. E: Could not find Python function The provided Python code was run successfully, but it not define a callable function with the required name. E: Python function is not callable The provided Python code was run successfully, but it not define a callable function with the required name. E: Could not create Python function arguments This is an internal Python error, possibly because the number of inputs to the function is too large. E: Could not evaluate Python function input variable Self-explanatory. E: Unsupported variable type UNDOCUMENTED E: 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. E: Python command length keyword cannot be used unless output is a string UNDOCUMENTED 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. */