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Force Halving for Flexible Dihedrals - #300

Merged

skfegan merged 8 commits into

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278-flexible-dihedrals

Mar 18, 2026

Merged

Force Halving for Flexible Dihedrals#300
skfegan merged 8 commits into
mainfrom
278-flexible-dihedrals

Commits on Mar 2, 2026
- adding flexible dihedrals to vibrational entropy calculation
  skfegan
  committed
  92a65cf
Commits on Mar 3, 2026
- tests
  skfegan
  committed
  9fb4198
Commits on Mar 12, 2026
- adding test for flexible dihedral force halving
  skfegan
  committed
  47f8e20
Commits on Mar 16, 2026
- merging in orientational entropy. Correcting flexible dihedrals for multiple groups.
  skfegan
  committed
  3143bcb
Commits on Mar 17, 2026
- updating baselines for regression tests
  skfegan
  committed
  aeb4638
- fix for residue grid search
  skfegan
  committed
  45fb071
- fixing test for residue grid search
  skfegan
  committed
  697cc5d
Commits on Mar 18, 2026
- Changing regression tests for liquids to grid search for speed up.
  skfegan
  committed
  c0b0639