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Number of molecules input; S_eff(q) output
- #15
#15
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mlund
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Jun 22, 2026
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Number of molecules input; S_eff(q) output
#15
mlund
merged 5 commits into
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mlund/pripps:master
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num-molecules-structure-factor
mlund/pripps:num-molecules-structure-factor
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Commits on Jun 21, 2026
Add --num-molecules: effective structure factor S_eff(q)
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Run --num-molecules on the GPU; tidy and test
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Commits on Jun 22, 2026
Address PR #15 review: guard zero consumed-weight-sum
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README: derive the effective structure factor theory
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README: fix inline math rendering on GitHub
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mlund