From 0911a1c4def4728d97f7ee3dca3768c701ba8c93 Mon Sep 17 00:00:00 2001 From: Shiv Upadhyay Date: Wed, 18 May 2022 15:17:50 -0400 Subject: [PATCH] Remove loop --- bin/qp_convert_h5_to_ezfio | 4 +--- 1 file changed, 1 insertion(+), 3 deletions(-) diff --git a/bin/qp_convert_h5_to_ezfio b/bin/qp_convert_h5_to_ezfio index b43fb2c9..1e15dab9 100755 --- a/bin/qp_convert_h5_to_ezfio +++ b/bin/qp_convert_h5_to_ezfio @@ -234,9 +234,7 @@ def convert_kpts_cd(filename,qph5path,qmcpack=True): kconserv = qph5['nuclei/kconserv'][()].tolist() minusk = qph5['Hamiltonian']['MinusK'][:]+1 QKTok2 = qph5['Hamiltonian']['QPTok2'][:]+1 - unique_kpt_num = 1 - while f'L{i}' in qph5['Hamiltonian']['KPFactorized'].keys(): - unique_kpt_num += 1 + unique_kpt_num = len(qph5['Hamiltonian']['KPFactorized']) ezfio.set_nuclei_kconserv(kconserv) ezfio.set_nuclei_io_kconserv('Read')