[5] add weights correctly#68

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fgrunewald wants to merge 7 commits intomainfrom

Commits on Oct 17, 2025

add weights correctly
Fabian Gruenewald
committed

Commits on Oct 21, 2025

allow reordering of residues
Fabian Gruenewald
committed
implement residue iteration classes
Fabian Gruenewald
committed
implement residue reordering and virtual side treatment
Fabian Gruenewald
committed
find atoms by name not index
Fabian Gruenewald
committed
implement residues and atomnames different from the universe
Fabian Gruenewald
committed

Commits on Nov 18, 2025

Merge branch 'main' into fix_weights
fgrunewald
authored