update input

ICAMS · Apr 1, 2022 · 5339a6f · 5339a6f
1 parent d127d6d
commit 5339a6f
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Showing 2 changed files with 16 additions and 4 deletions.
diff --git a/calphy/input.py b/calphy/input.py
@@ -173,6 +173,8 @@ def pressure(self):
 
     @pressure.setter
     def pressure(self, val):
+        print("im here")
+        print(val)
         self._pressure_input = val
         if val is None:
             self._fix_lattice = True
@@ -183,7 +185,7 @@ def pressure(self, val):
                     self._iso = False
                 else:
                     raise NotImplementedError()
-            elif len(value) == 2:
+            elif len(val) == 2:
                 self._pressure = val[0]
                 self._pressure_stop = val[1]
             else:
@@ -467,8 +469,8 @@ def read_inputfile(file):
             calc = Calculation.generate(indata)
             calc.from_dict(ci, keys=["mode", "pair_style", "pair_coeff", "repeat", "n_equilibration_steps",
                                 "n_switching_steps", "n_print_steps", "n_iterations"])
-            calc.pressure = Calculation.convert_to_list(ci["pressure"]) if "pressure" in ci.keys() else []
-            calc.temperature = Calculation.convert_to_list(ci["temperature"]) if "temperature" in ci.keys() else []
+            calc.pressure = Calculation.convert_to_list(ci["pressure"]) if "pressure" in ci.keys() else 0
+            calc.temperature = Calculation.convert_to_list(ci["temperature"]) if "temperature" in ci.keys() else None
             calc.lattice = Calculation.convert_to_list(ci["lattice"]) if "lattice" in ci.keys() else None
             calc.reference_phase = Calculation.convert_to_list(ci["reference_phase"]) if "reference_phase" in ci.keys() else None
             calc.lattice_constant = Calculation.convert_to_list(ci["lattice_constant"]) if "lattice_constant" in ci.keys() else 0 

diff --git a/notebooks/running_from_notebook.ipynb b/notebooks/running_from_notebook.ipynb
@@ -135,14 +135,24 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 3,
+   "execution_count": 6,
    "id": "314f0ed3-e40c-4b2d-a142-e70758d9a790",
    "metadata": {},
    "outputs": [],
    "source": [
     "csol = Calculation()"
    ]
   },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "379918d5-0f64-4779-aa75-6df2d29a7556",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "csol."
+   ]
+  },
   {
    "cell_type": "code",
    "execution_count": 4,