diff --git a/calphy/input.py b/calphy/input.py index 4609887..14cf65c 100644 --- a/calphy/input.py +++ b/calphy/input.py @@ -173,13 +173,15 @@ 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 elif isinstance(val, list): - if len(val) == 3: + if len(val) == 1: + self._pressure = val[0] + self._iso = True + self._fix_lattice = False + elif len(val) == 3: if (val[0]==val[1]==val[2]): self._pressure = val[0] self._iso = False @@ -202,7 +204,11 @@ def temperature(self): @temperature.setter def temperature(self, val): self._temperature_input = val - if isinstance(val, list): + if val is None: + self._temperature = val + self._temperature_stop = val + self._temperature_high = val + elif isinstance(val, list): if len(val) == 2: self._temperature = val[0] self._temperature_stop = val[1] diff --git a/calphy/routines.py b/calphy/routines.py index 76d9662..f2b5c65 100644 --- a/calphy/routines.py +++ b/calphy/routines.py @@ -31,6 +31,8 @@ from calphy.errors import * import calphy.helpers as ph +from calphy.liquid import Liquid +from calphy.solid import Solid class MeltingTemp: """ @@ -79,7 +81,7 @@ def prepare_calcs(self): None """ self.calc.temperature = [int(self.tmin), int(self.tmax)] - self.calc['temperature_stop'] = int(self.tmax) + self.calc._temperature_stop = int(self.tmax) csol = copy.deepcopy(self.calc) clqd = copy.deepcopy(self.calc)