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dr is constant; move outside loop #1

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dr is constant; move outside loop #1

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5 changes: 2 additions & 3 deletions starkhelium/core.py
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Original file line number Diff line number Diff line change
Expand Up @@ -208,6 +208,7 @@ def wf_numerov(n, l, nmax, rmin, step):
# Numerov method
i += 1
r = r_sub1
drr = exp(-step)**(-l - 1) - 1.0
while r >= rmin:
## next step
r = rmax * exp(-i*step)
Expand All @@ -218,16 +219,14 @@ def wf_numerov(n, l, nmax, rmin, step):
## check for divergence
if r < r_in:
dy = abs((y - y_sub1) / y_sub1)
dr = (r**(-l-1) - r_sub1**(-l-1)) / r_sub1**(-l-1)
if dy > dr:
if dy > drr:
break

## store vals
rvals.append(r)
yvals.append(y)

## next iteration
r_sub1 = r
g_sub2 = g_sub1
g_sub1 = g
y_sub2 = y_sub1
Expand Down