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adding comment on LMAX
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hatemhelal committed Sep 18, 2023
1 parent 3afef1d commit 9de3543
Showing 1 changed file with 2 additions and 4 deletions.
6 changes: 2 additions & 4 deletions pyscf_ipu/experimental/integrals.py
Original file line number Diff line number Diff line change
Expand Up @@ -15,6 +15,8 @@
from .primitive import Primitive, product
from .types import IntN, FloatN, FloatNxN, Float3, FloatNx3

# Maximum value an individual component of the angular momentum lmn can take
# Used for static ahead-of-time compilation of functions involving lmn.
LMAX = 4

"""
Expand Down Expand Up @@ -291,10 +293,6 @@ def gen_ijkl(n: int):
"""
adapted from four-index transformations by S Wilson pg 257
"""

def lmax(i: int, j: int, k: int):
return j if i == k else k

for idx in range(n):
for jdx in range(idx + 1):
for kdx in range(idx + 1):
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