From c5a1a2d7335a95b510c16a66d0acbdfee3ad0861 Mon Sep 17 00:00:00 2001 From: "Kevin J. Sung" Date: Sun, 13 Oct 2024 09:22:50 -0400 Subject: [PATCH] fix random uccsd complex t1 generation --- python/ffsim/random/random.py | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/python/ffsim/random/random.py b/python/ffsim/random/random.py index d6bb9eb22..7507a1d4b 100644 --- a/python/ffsim/random/random.py +++ b/python/ffsim/random/random.py @@ -368,7 +368,9 @@ def random_uccsd_restricted( """ rng = np.random.default_rng(seed) nvrt = norb - nocc - t1 = rng.standard_normal((nocc, nvrt)) + t1 = rng.standard_normal((nocc, nvrt), dtype=float if real else complex) + if not real: + t1 += 1j * rng.standard_normal((nocc, nvrt)) t2 = random_t2_amplitudes(norb, nocc, seed=rng, dtype=float if real else complex) final_orbital_rotation = None if with_final_orbital_rotation: