update pressure scaling method

ICAMS · Apr 4, 2022 · 3f86f6d · 3f86f6d
1 parent 2bd7a2f
commit 3f86f6d
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Showing 2 changed files with 4 additions and 3 deletions.
diff --git 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
@@ -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",