[yaml_cantera1] Report things in cantera default internal units.

rwest · rwest · commit 228df746d637 · 2026-03-04T14:51:21.000-05:00
The result might be ugly, but hopefully will be
correct!
diff --git a/rmgpy/yaml_cantera1.py b/rmgpy/yaml_cantera1.py
@@ -132,7 +132,7 @@ def write_cantera(
 
         # units line
         f.write(
-            "\nunits: {length: cm, time: s, quantity: mol, activation-energy: kcal/mol}\n\n"
+            "\nunits: {length: m, time: s, quantity: kmol, activation-energy: J/kmol}\n\n"
         )
 
         f.write(phases_block)

Original file line number	Diff line number	Diff line change
`@@ -132,7 +132,7 @@ def write_cantera(`
`132`	`132`
`133`	`133`	`# units line`
`134`	`134`	`f.write(`
`135`		`- "\nunits: {length: cm, time: s, quantity: mol, activation-energy: kcal/mol}\n\n"`
	`135`	`+ "\nunits: {length: m, time: s, quantity: kmol, activation-energy: J/kmol}\n\n"`
`136`	`136`	`)`
`137`	`137`
`138`	`138`	`f.write(phases_block)`