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Fix memory leak in pair python

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This commit is contained in:
Richard Berger
2017-12-10 17:14:08 -05:00
parent 81a1c007ed
commit 1b07a4edee
1 changed files with 4 additions and 0 deletions
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4
src/PYTHON/pair_python.cpp
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@ -181,6 +181,7 @@ void PairPython::compute(int eflag, int vflag)
error->all(FLERR,"Calling 'compute_force' function failed");
}
fpair = factor_lj*PyFloat_AsDouble(py_value);
Py_DECREF(py_value);
f[i][0] += delx*fpair;
f[i][1] += dely*fpair;
@ -194,6 +195,7 @@ void PairPython::compute(int eflag, int vflag)
if (eflag) {
py_value = PyObject_CallObject(py_compute_energy,py_compute_args);
evdwl = factor_lj*PyFloat_AsDouble(py_value);
Py_DECREF(py_value);
} else evdwl = 0.0;
if (evflag) ev_tally(i,j,nlocal,newton_pair,
@ -467,6 +469,7 @@ double PairPython::single(int i, int j, int itype, int jtype, double rsq,
error->all(FLERR,"Calling 'compute_force' function failed");
}
fforce = factor_lj*PyFloat_AsDouble(py_value);
Py_DECREF(py_value);
py_value = PyObject_CallObject(py_compute_energy,py_compute_args);
if (!py_value) {
@ -476,6 +479,7 @@ double PairPython::single(int i, int j, int itype, int jtype, double rsq,
error->all(FLERR,"Calling 'compute_energy' function failed");
}
double evdwl = factor_lj*PyFloat_AsDouble(py_value);
Py_DECREF(py_value);
Py_DECREF(py_compute_args);
PyGILState_Release(gstate);