LCPQ/dft_tools
3
0
Fork 0
mirror of https://github.com/triqs/dft_tools synced 2024-07-11 05:43:48 +02:00
Code Issues Releases Wiki Activity

removed SrVO3 now SrVO3.ref.h5 and changed the test

Browse Source
This commit is contained in:
Alexander Hampel 2020-06-10 18:17:16 +02:00
parent 8e9fbc5dc0
commit f4112b3cca
2 changed files with 3 additions and 3 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

BIN
test/python/SrVO3.h5
View File

Binary file not shown.

6
test/python/sumkdft_basic.py
View File

@ -24,9 +24,9 @@ from h5 import *
from triqs_dft_tools.sumk_dft_tools import SumkDFTTools
import triqs.utility.mpi as mpi
from triqs.utility.comparison_tests import *
from triqs.utility.h5diff import h5diff
from triqs.utility.h5diff import h5diff
SK = SumkDFTTools(hdf_file = 'SrVO3.h5')
SK = SumkDFTTools(hdf_file = 'SrVO3.ref.h5')
dm = SK.density_matrix(method = 'using_gf', beta = 40)
dm_pc = SK.partial_charges(beta=40,with_Sigma=False,with_dc=False)
@ -36,4 +36,4 @@ with HDFArchive('sumkdft_basic.out.h5','w') as ar:
ar['dm_pc'] = dm_pc
if mpi.is_master_node():
h5diff('sumkdft_basic.out.h5','sumkdft_basic.ref.h5')
h5diff('sumkdft_basic.out.h5','sumkdft_basic.ref.h5')