(fixed) boundary condition didn't work

yomichi · Jun 10, 2024 · edd3bc5 · edd3bc5
1 parent 77ac4fa
commit edd3bc5
Showing 1 changed file with 14 additions and 21 deletions.
diff --git a/src/lattice/generate.jl b/src/lattice/generate.jl
@@ -114,31 +114,24 @@ function generatelattice_std(param)
  for site in usites
  id = numsites_in_cell * icell + site.id
  coord = latvec * (cellcoord .+ site.coord)
- s = Site(id, ifelse(use_index_as_sitetype, id, site.sitetype), Int[], Int[],
- coord, site.id, cellcoord)
+ s = Site(id, ifelse(use_index_as_sitetype, id, site.sitetype), Int[], Int[], coord, site.id, cellcoord)
  push!(sites, s)
  end
  for bond in ubonds
- for d in 1:D
- if !(bc[d] || bond.source.offset[d] == bond.source.offset[d])
- if !(0 <=
- cellcoord[d] + (bond.target.offset[d] - bond.source.offset[d]) <
- L[d])
- continue
- end
- end
+ if any(bond.source.offset .!= 0)
+ error("offset in source should be zero")
+ end
+ target_coord = cellcoord .+ bond.target.offset
+ if all((0 .<= target_coord .< L) .|| bc)
+ source = numsites_in_cell * cellcoord + bond.source.id
+ target = numsites_in_cell * coord2index(cellcoord .+ bond.target.offset, L) + bond.target.id
+ dir = latvec * ((bond.target.offset .+ usites[bond.target.id].coord)
+ .-
+ (bond.source.offset .+ usites[bond.source.id].coord))
+ ib += 1
+ b = Bond(ib, ifelse(use_index_as_bondtype, ib, bond.bondtype), source, target, dir)
+ push!(bonds, b)
  end
- source = numsites_in_cell * coord2index(cellcoord .+ bond.source.offset, L) +
- bond.source.id
- target = numsites_in_cell * coord2index(cellcoord .+ bond.target.offset, L) +
- bond.target.id
- dir = latvec * ((bond.target.offset .+ usites[bond.target.id].coord)
- .-
- (bond.source.offset .+ usites[bond.source.id].coord))
- ib += 1
- b = Bond(ib, ifelse(use_index_as_bondtype, ib, bond.bondtype), source, target,
- dir)
- push!(bonds, b)
  end
  end