Merge pull request #167 from ICAMS/bug_fix

Bug fix

Author: srmnitc

calphy/liquid.py

@@ -412,7 +412,7 @@ def thermodynamic_integration(self):
             self.calc._temperature,
             self.rho,
             self.calc.uhlenbeck_ford_model.p,
-            self.uhlenbeck_ford_model.sigma,
+            self.calc.uhlenbeck_ford_model.sigma,
         )
 
         # Get ideal gas fe

calphy/phase.py

@@ -101,16 +101,7 @@ def __init__(self, calculation=None, simfolder=None, log_to_screen=False):
             self.logger.info(
                 "Thermostat/Barostat combo for equilibration cycle can be specified using keyword equilibration_control"
             )
-            if self.calc.reference_phase == "liquid":
-                self.logger.info(
-                    "Reference phase is liquid, setting Nose-Hoover thermostat for equilibration"
-                )
-                self.calc.equilibration_control = "nose-hoover"
-            else:
-                self.logger.info(
-                    "Reference phase is solid, setting Nose-Hoover thermostat for equilibration"
-                )
-                self.calc.equilibration_control = "nose-hoover"
+            self.calc.equilibration_control = "nose-hoover"
         else:
             self.logger.info(
                 "Equilibration stage is done using %s barostat/thermostat"