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Address recent performance regression #90

Merged
merged 1 commit into from
Apr 9, 2021
Merged

Address recent performance regression #90

merged 1 commit into from
Apr 9, 2021

Commits on Apr 8, 2021

  1. Address recent performance regression 

    Reported in the schrodigner bug tracker as SHARED-7789

Our performance monitoring tests noticed that coordgen got about
10x slower after PR schrodinger#81. I guess the inner loop of minimization
must be hitting the max pretty frequently! We should address
that too.

(this doubles the max iterations from before schrodinger#81, but that's ok
because schrodinger#81 halved the calls to this function)

Before this change:

    slowest:  1.442s
    average: 0.044s
    molecules above 0.1s: 566
    molecules above 1s: 9

after this change:

    slowest: 0.151s
    average: 0.006s
    molecules above 0.1s: 12
    molecules above 1s: 0
    @d-b-w
    d-b-w committed Apr 8, 2021
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