import Mathlib import OAI.Analysis.HardSphere.Geometry.EndpointsExterior import OAI.Analysis.HardSphere.Allocation.PhysicalVertex namespace OAI section noncomputable section open MeasureTheory ProbabilityTheory Set open scoped ENNReal NNReal namespace HardSphere.Groups open Wiener Bridge Sampling Comparison GaussianPacking PathCutoff CellOrbital HardSphere.Lattice def siteIndex {K : ℕ} [NeZero K] (v : DiscreteTorus K) : Fin 3→Fin K := fun j ↦ ⟨(v j).val,ZMod.val_lt _⟩ def indexSite {K : ℕ} (v : Fin 3→Fin K) : DiscreteTorus K := fun j ↦ ((v j).val:ZMod K) @[simp] lemma indexSite_siteIndex {K : ℕ} [NeZero K] (v : DiscreteTorus K) : indexSite (siteIndex v)=v := by funext j exact ZMod.natCast_zmod_val _ @[simp] lemma siteIndex_indexSite {K : ℕ} [NeZero K] (v : Fin 3→Fin K) : siteIndex (indexSite v)=v := by funext j apply Fin.ext change (((v j).val:ZMod K).val)=(v j).val rw [ZMod.val_natCast,Nat.mod_eq_of_lt (v j).isLt] def siteIndexEquiv {K : ℕ} [NeZero K] : DiscreteTorus K ≃ (Fin 3→Fin K) := ⟨siteIndex,indexSite,indexSite_siteIndex,siteIndex_indexSite⟩ lemma intPeriod_project {K : ℕ} {L : Length} (hL : L.val=(K:ℝ)) (z : ℤ) (hz : (z:ZMod K)=0) : ((z:ℝ):AddCircle L.val)=0 := by obtain ⟨q,hq⟩ := (ZMod.intCast_zmod_eq_zero_iff_dvd z K).mp hz apply (AddCircle.coe_eq_zero_iff L.val).mpr refine ⟨q,?_⟩ rw [zsmul_eq_mul,hL] norm_cast rw [hq,mul_comm] lemma siteIndex_project_lift {K : ℕ} [NeZero K] {L : Length} (hL : L.val=(K:ℝ)) (z : Vertex) : projectPoint L (anchorPoint (siteIndex (torusProjection K z)))= projectPoint L (fun k ↦ (z k:ℝ)) := by ext k change ((((z k:ZMod K).val:ℕ):ℝ):AddCircle L.val)=((z k:ℝ):AddCircle L.val) apply sub_eq_zero.mp rw [←AddCircle.coe_sub] have H := intPeriod_project hL (((z k:ZMod K).val:ℤ)-z k) (by simp only [Int.cast_sub,Int.cast_natCast,ZMod.natCast_zmod_val,sub_self]) simpa only [Int.cast_sub,Int.cast_natCast] using H lemma targetStep_positive (i : Fin 3) : targetStep ⟨2*i.val+1,by omega⟩=fun k ↦ if k=i then (1:ℝ) else 0 := by funext k fin_cases i <;> fin_cases k <;> norm_num [targetStep] lemma targetStep_negative (i : Fin 3) : targetStep ⟨2*i.val+2,by omega⟩=fun k ↦ if k=i then (-1:ℝ) else 0 := by funext k fin_cases i <;> fin_cases k <;> norm_num [targetStep] lemma nearest_targetStep {x y : Vertex} (h : nearestStep x y) : ∃ j : Fin 7,targetStep j=fun k ↦ ((y k-x k:ℤ):ℝ) := by obtain ⟨i,hi,hr⟩ := h rcases (abs_eq (by norm_num : (0:ℤ)≤1)).mp hi with hp|hn · refine ⟨⟨2*i.val+2,by omega⟩,?_⟩ rw [targetStep_negative] funext k by_cases hk : k=i · subst k simp only have H : y i-x i=-1 := by omega rw [H]; norm_num · simp only [ite_eq_right hk,hr k hk,sub_self,Int.cast_zero] · refine ⟨⟨2*i.val+1,by omega⟩,?_⟩ rw [targetStep_positive] funext k by_cases hk : k=i · subst k simp only have H : y i-x i=1 := by omega rw [H]; norm_num · simp only [ite_eq_right hk,hr k hk,sub_self,Int.cast_zero] theorem adjacent_routeCellPeriod {K : ℕ} [NeZero K] {L : Length} (hL : L.val=(K:ℝ)) {w v : DiscreteTorus K} (h : (torusNearestGraph K).Adj w v) : ∃ j : Fin 7,projectPoint L (routeCellPeriod (siteIndex v) (siteIndex w) j)=0 := by obtain ⟨_,x,y,hx,hy,hn⟩ := h obtain ⟨j,hj⟩ := nearest_targetStep hn refine ⟨j,?_⟩ subst w v have hx' := siteIndex_project_lift hL x have hy' := siteIndex_project_lift hL y ext k change (((anchorPoint (siteIndex (torusProjection K y)) k- (anchorPoint (siteIndex (torusProjection K x)) k+targetStep j k)):ℝ):AddCircle L.val)=0 rw [AddCircle.coe_sub,AddCircle.coe_add,show targetStep j k=((y k-x k:ℤ):ℝ) from congrFun hj k] have HX := congrFun hx' k have HY := congrFun hy' k change ((anchorPoint (siteIndex (torusProjection K x)) k:ℝ):AddCircle L.val)=((x k:ℝ):AddCircle L.val) at HX change ((anchorPoint (siteIndex (torusProjection K y)) k:ℝ):AddCircle L.val)=((y k:ℝ):AddCircle L.val) at HY rw [HX,HY,Int.cast_sub,AddCircle.coe_sub] abel lemma self_routeCellPeriod {K : ℕ} {L : Length} (v : Fin 3→Fin K) : projectPoint L (routeCellPeriod v v 0)=0 := by simp only [routeCellPeriod,targetStep,Fin.val_zero,↓reduceIte,add_zero,sub_self] rfl end HardSphere.Groups end end section noncomputable section open MeasureTheory ProbabilityTheory Set open scoped ENNReal NNReal namespace HardSphere.Groups open Wiener Bridge Sampling Comparison GaussianPacking PathCutoff CellOrbital HardSphere.Lattice lemma nearest_project_distance {L : Length} {x y : Vertex} (h : nearestStep x y) : torusDistance L (projectPoint L (fun k ↦ (x k:ℝ))) (projectPoint L (fun k ↦ (y k:ℝ)))≤1 := by obtain ⟨j,hj,hh⟩ := h have hc (i : Fin 3) : dist (((x i:ℝ):AddCircle L.val)) ((y i:ℝ):AddCircle L.val)≤ if i=j then (1:ℝ) else 0 := by rw [dist_eq_norm,←AddCircle.coe_sub] refine (QuotientAddGroup.norm_mk_le_norm (m:=(x i:ℝ)-(y i:ℝ))).trans ?_ rw [Real.norm_eq_abs] by_cases hi : i=j · subst i simp only exact_mod_cast le_of_eq hj · simp only [ite_eq_right hi,hh i hi,sub_self,abs_zero,le_refl] unfold torusDistance apply (Real.sqrt_le_iff).mpr refine ⟨by norm_num,?_⟩ calc _ ≤ ∑ i : Fin 3,(if i=j then (1:ℝ) else 0)^2 := Finset.sum_le_sum fun i _ ↦ (sq_le_sq₀ dist_nonneg (by split_ifs <;> norm_num)).mpr (hc i) _ = 1^2 := by simp lemma adjacent_center_distance {K : ℕ} [NeZero K] {L : Length} (hL : L.val=(K:ℝ)) {x y : DiscreteTorus K} (h : (torusNearestGraph K).Adj x y) : torusDistance L (gridCenter L (siteIndex x)) (gridCenter L (siteIndex y))≤1 := by obtain ⟨_,v,w,hv,hw,hn⟩ := h subst x y change torusDistance L (projectPoint L (anchorPoint (siteIndex (torusProjection K v)))) (projectPoint L (anchorPoint (siteIndex (torusProjection K w))))≤1 rw [siteIndex_project_lift hL,siteIndex_project_lift hL] exact nearest_project_distance hn end HardSphere.Groups end end end OAI