mirror of
https://github.com/triqs/dft_tools
synced 2024-12-31 16:45:49 +01:00
removed SrVO3 now SrVO3.ref.h5 and changed the test
This commit is contained in:
parent
8e9fbc5dc0
commit
f4112b3cca
Binary file not shown.
@ -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')
|
||||
|
Loading…
Reference in New Issue
Block a user