Fix the initial step size of the phase tracer to dT

benoitlaurent96 · benoitlaurent96 · commit c250cd4011e8 · 2024-10-30T09:46:57.000-04:00
diff --git a/src/WallGo/freeEnergy.py b/src/WallGo/freeEnergy.py
@@ -332,6 +332,7 @@ def spinodalEvent(temperature: float, field: np.ndarray) -> float:
                 rtol=rTol,
                 atol=tolAbsolute,
                 max_step=dT,
+                first_step=dT,
             )
             while ode.status == "running":
                 try:

Original file line number	Diff line number	Diff line change
`@@ -332,6 +332,7 @@ def spinodalEvent(temperature: float, field: np.ndarray) -> float:`
`332`	`332`	`rtol=rTol,`
`333`	`333`	`atol=tolAbsolute,`
`334`	`334`	`max_step=dT,`
	`335`	`+ first_step=dT,`
`335`	`336`	`)`
`336`	`337`	`while ode.status == "running":`
`337`	`338`	`try:`