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Minor performance improvements (#98) #278

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Minor performance improvements (#98)

Minor performance improvements (#98) #278

Run time

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Job Run time
macOS-latest, 🐍=3.10, OpenMM=true
35s
macOS-latest, 🐍=3.10, OpenMM=true
35s
macOS-latest, 🐍=3.10, OpenMM=true
36s
macOS-latest, 🐍=3.10, OpenMM=true
36s
macOS-latest, 🐍=3.10, OpenMM=true
40s
macOS-latest, 🐍=3.10, OpenMM=true
40s
macOS-latest, 🐍=3.11, OpenMM=true
34s
macOS-latest, 🐍=3.11, OpenMM=true
34s
macOS-latest, 🐍=3.11, OpenMM=true
33s
macOS-latest, 🐍=3.11, OpenMM=true
33s
macOS-latest, 🐍=3.11, OpenMM=true
36s
macOS-latest, 🐍=3.11, OpenMM=true
36s
macOS-latest, 🐍=3.12, OpenMM=true
35s
macOS-latest, 🐍=3.12, OpenMM=true
35s
macOS-latest, 🐍=3.12, OpenMM=true
1m 17s
macOS-latest, 🐍=3.12, OpenMM=true
1m 17s
macOS-latest, 🐍=3.12, OpenMM=true
35s
macOS-latest, 🐍=3.12, OpenMM=true
35s
macOS-latest, 🐍=3.10, OpenMM=false
29s
macOS-latest, 🐍=3.10, OpenMM=false
29s
macOS-latest, 🐍=3.10, OpenMM=false
31s
macOS-latest, 🐍=3.10, OpenMM=false
31s
macOS-latest, 🐍=3.10, OpenMM=false
43s
macOS-latest, 🐍=3.10, OpenMM=false
43s
macOS-latest, 🐍=3.11, OpenMM=false
32s
macOS-latest, 🐍=3.11, OpenMM=false
32s
macOS-latest, 🐍=3.11, OpenMM=false
31s
macOS-latest, 🐍=3.11, OpenMM=false
31s
macOS-latest, 🐍=3.11, OpenMM=false
32s
macOS-latest, 🐍=3.11, OpenMM=false
32s
macOS-latest, 🐍=3.12, OpenMM=false
32s
macOS-latest, 🐍=3.12, OpenMM=false
32s
macOS-latest, 🐍=3.12, OpenMM=false
39s
macOS-latest, 🐍=3.12, OpenMM=false
39s
macOS-latest, 🐍=3.12, OpenMM=false
29s
macOS-latest, 🐍=3.12, OpenMM=false
29s
ubuntu-latest, 🐍=3.10, OpenMM=true
45s
ubuntu-latest, 🐍=3.10, OpenMM=true
45s
ubuntu-latest, 🐍=3.10, OpenMM=true
45s
ubuntu-latest, 🐍=3.10, OpenMM=true
45s
ubuntu-latest, 🐍=3.10, OpenMM=true
37s
ubuntu-latest, 🐍=3.10, OpenMM=true
45s
ubuntu-latest, 🐍=3.11, OpenMM=true
42s
ubuntu-latest, 🐍=3.11, OpenMM=true
42s
ubuntu-latest, 🐍=3.11, OpenMM=true
42s
ubuntu-latest, 🐍=3.11, OpenMM=true
45s
ubuntu-latest, 🐍=3.11, OpenMM=true
38s
ubuntu-latest, 🐍=3.11, OpenMM=true
43s
ubuntu-latest, 🐍=3.12, OpenMM=true
42s
ubuntu-latest, 🐍=3.12, OpenMM=true
42s
ubuntu-latest, 🐍=3.12, OpenMM=true
40s
ubuntu-latest, 🐍=3.12, OpenMM=true
40s
ubuntu-latest, 🐍=3.12, OpenMM=true
40s
ubuntu-latest, 🐍=3.12, OpenMM=true
40s
ubuntu-latest, 🐍=3.10, OpenMM=false
24s
ubuntu-latest, 🐍=3.10, OpenMM=false
24s
ubuntu-latest, 🐍=3.10, OpenMM=false
29s
ubuntu-latest, 🐍=3.10, OpenMM=false
29s
ubuntu-latest, 🐍=3.10, OpenMM=false
29s
ubuntu-latest, 🐍=3.10, OpenMM=false
29s
ubuntu-latest, 🐍=3.11, OpenMM=false
25s
ubuntu-latest, 🐍=3.11, OpenMM=false
25s
ubuntu-latest, 🐍=3.11, OpenMM=false
26s
ubuntu-latest, 🐍=3.11, OpenMM=false
26s
ubuntu-latest, 🐍=3.11, OpenMM=false
27s
ubuntu-latest, 🐍=3.11, OpenMM=false
27s
ubuntu-latest, 🐍=3.12, OpenMM=false
25s
ubuntu-latest, 🐍=3.12, OpenMM=false
25s
ubuntu-latest, 🐍=3.12, OpenMM=false
14s
ubuntu-latest, 🐍=3.12, OpenMM=false
26s
ubuntu-latest, 🐍=3.12, OpenMM=false
27s
ubuntu-latest, 🐍=3.12, OpenMM=false
27s
42m 20s