modify RPE_filter

ACEsuit · Oct 5, 2023 · 085263c · 085263c
1 parent ede2545
commit 085263c
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/src/builder.jl b/src/builder.jl
@@ -13,10 +13,10 @@ export equivariant_model, equivariant_SYY_model, equivariant_luxchain_constructo
 
 P4ML = Polynomials4ML
 
-RPE_filter(L) = bb -> (length(bb) == 0) || ((abs(sum(b.m for b in bb)) <= L) && iseven(sum(b.l for b in bb)+L))
+RPE_filter(L) = bb -> (length(bb) == 0) || ((abs(sum(b.m for b in bb)) <= L) && iseven(sum(b.l for b in bb)+L)) && ( length(bb) == 1 && L == 0 ? bb[1].l == 0 : true )
 RPE_filter_long(L) = bb -> (length(bb) == 0) || (abs(sum(b.m for b in bb)) <= L)
 
-RPE_filter_real(L) = bb -> (length(bb) == 0) || mm_filter([b.m for b in bb],L) && iseven(sum(b.l for b in bb)+L)
+RPE_filter_real(L) = bb -> (length(bb) == 0) || mm_filter([b.m for b in bb],L) && iseven(sum(b.l for b in bb)+L) && ( length(bb) == 1 && L == 0 ? bb[1].l == 0 : true )
 
 """
 _rpi_A2B_matrix(cgen::Union{Rot3DCoeffs{L,T},Rot3DCoeffs_real{L,T},Rot3DCoeffs_long{L,T}},