add contributing.md

CODE_OF_CONDUCT.md

@@ -1,17 +1,5 @@
 # Contributor Covenant Code of Conduct
 
-## Contributing
-
-Contributing to Equilipy is easy: just open a
-[pull request](https://help.github.com/articles/using-pull-requests/).
-Make `main` the destination branch on the [Equilipy
-repository](https://github.com/ORNL/Equilipy) and allow edits from
-maintainers.
-
-Your pull request must work with all current Equilipy tutorial examples
-and be reviewed by at least one Equilipy developer.
-
-
 ## Our Standards
 
 We as contributors and maintainers pledge to making participation in our project and

CONTRIBUTING.md

@@ -0,0 +1,11 @@
+
+## Contributing
+
+Contributing to Equilipy is easy: just open a
+[pull request](https://help.github.com/articles/using-pull-requests/).
+Make `main` the destination branch on the [Equilipy
+repository](https://github.com/ORNL/Equilipy) and allow edits from
+maintainers.
+
+Your pull request must work with all current Equilipy tutorial examples
+and be reviewed by at least one Equilipy developer.

README.md

@@ -26,6 +26,8 @@ The following features are currently available.
 
 For details, check out the example directory and [Features and Examples](https://ornl.github.io/Equilipy/features.html)
 
+## Contributing
+We encourage you to contribute to Equilipy. Please see [contributing guidelines](CONTRIBUTING.md).
 
 ## Additional note
 Examples in Equilipy uses `polars` dataframe for fast data processing. In particular, example 3 requires `fastexcel` as the optional dependancy in `polars`. 

example/Example05_ScheilCooling.py

@@ -10,12 +10,12 @@
     # Step 2: Set input data
     system=['Al','Cu','Mg','Si']
     NTP = dict({
-        'T':1000,
+        'T':900,
         'P': 1,
-        'Al':0.75,
-        'Cu': 0.05,
-        'Mg':0.1,
-        'Si': 0.1})
+        'Al':0.89260,
+        'Cu': 0.01745,
+        'Mg':0.00114,
+        'Si': 0.0881})
 
     # Step 3: Calculate Scheil cooling based on LIQUID as target phase
     TargetPhase='LIQUID'

example/Example06_ScheilCooling_PhaseSelection.py

@@ -9,15 +9,15 @@
     #Set input data
 
     NTP = dict({
-        'T':1000,
+        'T':900,
         'P': 1,
-        'Al':0.8,
-        'Cu': 0.05,
-        'Mg':0.1,
-        'Si': 0.05})
+        'Al':0.89260,
+        'Cu': 0.01745,
+        'Mg':0.00114,
+        'Si': 0.0881})
     #Phase selection
     PhasesAll=eq.list_phases(DB,list(NTP.keys())[2:])
-    phases = ['LIQUID','FCC_A1','MG2SI(s)']
+    phases = [x for x in PhasesAll if 'FCC_A1' not in x]
 
     # Calculate Scheil cooling
     res=eq.scheil_cooling('LIQUID',DB,NTP,dT=10,ListOfPhases=phases)