From e86c070770ad00101323f5435c2da495968b6acd Mon Sep 17 00:00:00 2001 From: Yann in 't Veld Date: Tue, 23 Apr 2024 03:36:40 +0200 Subject: [PATCH] Updated vasp cRPA parsers to triqs 3.2.x --- python/triqs_tprf/vasp_crpa_parsers.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/python/triqs_tprf/vasp_crpa_parsers.py b/python/triqs_tprf/vasp_crpa_parsers.py index 00f8d98f8..8bf2cf05a 100644 --- a/python/triqs_tprf/vasp_crpa_parsers.py +++ b/python/triqs_tprf/vasp_crpa_parsers.py @@ -79,12 +79,12 @@ def convert_from_ndarray_to_triqs(U_Q, Q, units, orbital_positions, kpts): bl = BravaisLattice(units, orbital_positions) bz = BrillouinZone(bl) - bzmesh = MeshBrZone(bz, np.diag(np.array(kpts, dtype=np.int32))) + bzmesh = MeshBrZone(bz, np.array(kpts, dtype=np.int32)) u_q = Gf(mesh=bzmesh, target_shape=U_Q.shape[1:]) H = TBLattice(units=units, hopping={}, orbital_positions=orbital_positions) - kunits = H.bz.units() + kunits = H.bz.units # note: np.rint() absolutely imporant to have correct # rounding behaviour