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DVR-jl
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Revert "2 bug fixes"

This commit is contained in:
ysyapa 2023-08-18 19:38:55 +00:00
parent c1490f650d
commit 3792647cbb
2 changed files with 8 additions and 8 deletions
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2
common.jl
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@ -90,7 +90,7 @@ function calculate_Vs(s::system{T}, V_twobody::Function, ϕ::T, n_image::Int)::A
end
end
end
Vs[i] *= sqrt(s.multiplicity[i[1]])
Vs[i] *= s.multiplicity[i[1]]
end
return Vs
end

14
irrep.jl
View File

@ -47,13 +47,13 @@ function sym_reduce(s, K_partial)
K_partial_y = kron(kron(I, K_partial), I)
K_partial_z = kron(kron(I, I), K_partial)
for (i, j) in enumerate(s.unique_i)
K_partial_x[j, :] *= sqrt(s.multiplicity[i])
K_partial_x[:, j] *= sqrt(s.multiplicity[i])
K_partial_y[j, :] *= sqrt(s.multiplicity[i])
K_partial_y[:, j] *= sqrt(s.multiplicity[i])
K_partial_z[j, :] *= sqrt(s.multiplicity[i])
K_partial_z[:, j] *= sqrt(s.multiplicity[i])
for i in s.unique_i
K_partial_x[i, :] *= s.multiplicity[i]
K_partial_x[:, i] *= s.multiplicity[i]
K_partial_y[i, :] *= s.multiplicity[i]
K_partial_y[:, i] *= s.multiplicity[i]
K_partial_z[i, :] *= s.multiplicity[i]
K_partial_z[:, i] *= s.multiplicity[i]
end
K_partial_x = K_partial_x[s.unique_i, s.unique_i]