LCPQ/qp2
9
1
Fork 0
mirror of https://github.com/QuantumPackage/qp2.git synced 2025-04-27 10:44:43 +02:00
Code Releases Activity

Remove loop

Browse Source
This commit is contained in:
Shiv Upadhyay 2022-05-18 15:17:50 -04:00 committed by Kevin Gasperich
parent 99ce2d7418
commit 0911a1c4de
1 changed files with 1 additions and 3 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

4
bin/qp_convert_h5_to_ezfio
View File

@ -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')