diff --git a/calphy/phase.py b/calphy/phase.py index a8d8a2c..d03807f 100644 --- a/calphy/phase.py +++ b/calphy/phase.py @@ -597,6 +597,7 @@ def integrate_pressure_scaling(self, return_values=False): Only returned if `return_values` is True. """ res = integrate_ps(self.simfolder, self.fe, self.natoms, + self.calc._pressure, self.calc._pressure_stop, nsims=self.calc.n_iterations, return_values=return_values) if return_values: diff --git a/notebooks/running_from_notebook.ipynb b/notebooks/running_from_notebook.ipynb index 4c91b73..131a07a 100644 --- a/notebooks/running_from_notebook.ipynb +++ b/notebooks/running_from_notebook.ipynb @@ -25,7 +25,7 @@ }, { "cell_type": "code", - "execution_count": 6, + "execution_count": 7, "id": "872e93c2-c3bf-4580-a1ef-77789019cf39", "metadata": {}, "outputs": [ @@ -35,14 +35,14 @@ "text": [ "1\n", "2\n", - "True\n", + "False\n", "False\n" ] } ], "source": [ "csol = Calculation()\n", - "csol.pressure = [[1,1,]]\n", + "csol.pressure = [[1,1,1], [2,2,2]]\n", "print(csol._pressure)\n", "print(csol._pressure_stop)\n", "print(csol._iso)\n",