Rename merge_matrices to merge_diis_matrices_spin_blocks

Author: mfherbst

src/algorithms/EDIIS.jl

@@ -123,6 +123,6 @@ end
     When synchronizing spins the resulting DIIS matrices have to be added
     together but the constraint must be kept as is.
 """
-function merge_matrices(::EDIIS, B1::AbstractArray, B2::AbstractArray)
+function merge_diis_matrices_spin_blocks(::EDIIS, B1::AbstractArray, B2::AbstractArray)
     B1 + B2
 end

src/algorithms/cDIIS.jl

@@ -66,7 +66,7 @@ end
     When synchronizing spins the resulting DIIS matrices have to be added
     together but the constraint must be kept as is.
 """
-function merge_matrices(::cDIIS, A1::AbstractArray, A2::AbstractArray)
+function merge_diis_matrices_spin_blocks(::cDIIS, A1::AbstractArray, A2::AbstractArray)
     view(A1, 1:size(A1, 1) - 1, 1:size(A1, 2) - 1) .+ view(A2, 1:size(A2, 1) - 1, 1:size(A2, 2) - 1)
     return A1
 end

src/parts/diis.jl

@@ -20,7 +20,7 @@ function compute_next_iterate(acc::Union{cDIIS,EDIIS}, iterstate::ScfIterState)
     # merged matrix. This also means we need to remove the same number of
     # matrices from both histrories.
     if acc.sync_spins & (spincount(iterate) == 2)
-        A = merge_matrices(acc, matrix(1), matrix(2))
+        A = merge_diis_matrices_spin_blocks(acc, matrix(1), matrix(2))
         c, matrixpurgecount = coefficients(A)
         map(σ -> compute(c, σ), spinloop(iterate))
         map(σ -> purge_from_state(acc, acc.state[σ], matrixpurgecount), spinloop(iterate))