initialize the python interpreter instance with python->init() (8b75fb29) · Commits · 郑智淋 / lammps

src/KIM/kim_property.cpp

+3 −5

Original line number	Diff line number	Diff line
		@@ -65,6 +65,7 @@
		#include "variable.h"
		#include "utils.h"
		#include "error.h"
		#include "lmppython.h"

		#include <string>

		@@ -81,10 +82,7 @@ kimProperty::kimProperty(LAMMPS *lmp) : Pointers(lmp)
		"3 >= 3.6 support.");
		#endif
		// one-time initialization of Python interpreter
		if (!Py_IsInitialized()) {
		Py_Initialize();
		PyEval_InitThreads();
		}
		python->init();
		#else
		error->all(FLERR, "Error Python support missing! Compile with PYTHON "
		"package installed!");
		@@ -143,7 +141,7 @@ void kimProperty::command(int narg, char **arg)
		"\nkim-property Python package can be installed "
		"with pip:\n`pip install kim-property`\n"
		"See the installation instructions at\n"
		"https://github.com/openkim/kim-property#installing-kim-property\n")
		"https://github.com/openkim/kim-property#installing-kim-property\n"
		"for detailed information.");
		}