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LeanPool.HardSphereNBC.HardSphereForkPackingCoordinates

HardSphereForkPackingCoordinates #

Graph, coordinate, and measure constructions for the hard-sphere NBC volume identity.

noncomputable def HsVirial.hardSphereTreeEdgeIndex {k : ℕ} [NeZero k] {T : Finset (Sym2 (Fin k))} (hT : T ∈ treeUniverse) (e : Sym2 (Fin k)) (he : e ∈ T) :
Fin (k - 1)

The rooted tree-difference coordinate carrying a fixed tree edge.

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    The two tree edges used by an order-compatible fork.

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      Choose one of the two center-to-leaf edges of a fork.

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        noncomputable def HsVirial.hardSphereForkMemberIndex {k : ℕ} [NeZero k] {T : Finset (Sym2 (Fin k))} (hT : T ∈ treeUniverse) (f : HardSphereForkTriple k) (j : Fin 2) (he : hardSphereForkMemberEdge f j ∈ T) :
        Fin (k - 1)

        The tree-difference coordinate corresponding to a fork edge.

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          noncomputable def HsVirial.hardSphereForkMemberReversed {k : ℕ} [NeZero k] {T : Finset (Sym2 (Fin k))} (hT : T ∈ treeUniverse) (f : HardSphereForkTriple k) (j : Fin 2) (he : hardSphereForkMemberEdge f j ∈ T) :

          Whether the tree orientation of a fork edge opposes its center-to-leaf orientation.

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            noncomputable def HsVirial.hardSphereForkPackingMemberIndex {k : ℕ} [NeZero k] {T : Finset (Sym2 (Fin k))} {P : Finset (HardSphereForkTriple k)} (hT : T ∈ treeUniverse) (hP : hardSphereForkPacking T P) :
            ↥P × Fin 2 → Fin (k - 1)

            Assign tree-difference coordinates to the two members of each packed fork.

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              noncomputable def HsVirial.hardSphereForkPackingMemberIndexFin {k : ℕ} [NeZero k] {T : Finset (Sym2 (Fin k))} {P : Finset (HardSphereForkTriple k)} (hT : T ∈ treeUniverse) (hP : hardSphereForkPacking T P) :
              Fin P.card × Fin 2 → Fin (k - 1)

              Index packed fork members using the finite enumeration of the packing.

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                noncomputable def HsVirial.hardSphereForkPackingMemberReversed {k : ℕ} [NeZero k] {T : Finset (Sym2 (Fin k))} {P : Finset (HardSphereForkTriple k)} (hT : T ∈ treeUniverse) (hP : hardSphereForkPacking T P) (i : Fin P.card) (j : Fin 2) :

                The orientation correction for an enumerated packed fork edge.

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                  noncomputable def HsVirial.hardSphereForkPackingFlatMemberIndex {k : ℕ} [NeZero k] {T : Finset (Sym2 (Fin k))} {P : Finset (HardSphereForkTriple k)} (hT : T ∈ treeUniverse) (hP : hardSphereForkPacking T P) :
                  Fin (P.card * 2) → Fin (k - 1)

                  Flatten the two coordinate indices per packed fork into one finite index.

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                    The set of tree coordinates used by the fork packing.

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                      The bijection from packed edge indices to their selected tree coordinates.

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                        The number of tree coordinates not used by the fork packing.

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                          Reindex tree coordinates with packed fork edges first and unused edges last.

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                            Group tree-difference coordinates into packed pairs and remaining single coordinates.

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                              Negate a position exactly when the orientation flag requests reversal.

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                                The orientation reversal flag for a flattened packed coordinate.

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                                  Apply all orientation corrections to the flattened tree coordinates.

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                                    Group the orientation-corrected coordinates into fork pairs and single positions.

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                                      The configuration-to-block map used for the simultaneous fork volume estimate.

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