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dft_tools
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Code Issues Releases Wiki Activity

Removes work around for issue #41

This commit is contained in:
Manuel Zingl 2015-08-10 16:14:51 +02:00
parent 8911eac67c
commit 929b459681
4 changed files with 6 additions and 6 deletions
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4
python/converters/wien2k_converter.py
View File

@ -445,7 +445,7 @@ class Wien2kConverter(ConverterTools):
if not (mpi.is_master_node()): return
# Check if SP, SO and n_k are already in h5
ar = HDFArchive(self.hdf_file, 'a')
ar = HDFArchive(self.hdf_file, 'r')
if not (self.dft_subgrp in ar): raise IOError, "convert_misc_input: No %s subgroup in hdf file found! Call convert_dft_input first." %self.dft_subgrp
SP = ar[self.dft_subgrp]['SP']
SO = ar[self.dft_subgrp]['SO']
@ -557,7 +557,7 @@ class Wien2kConverter(ConverterTools):
if not (mpi.is_master_node()): return
# Check if SP, SO and n_k are already in h5
ar = HDFArchive(self.hdf_file, 'a')
ar = HDFArchive(self.hdf_file, 'r')
if not (self.dft_subgrp in ar): raise IOError, "convert_transport_input: No %s subgroup in hdf file found! Call convert_dft_input first." %self.dft_subgrp
SP = ar[self.dft_subgrp]['SP']
SO = ar[self.dft_subgrp]['SO']

4
python/sumk_dft.py
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@ -162,7 +162,7 @@ class SumkDFT:
subgroup_present = 0
if mpi.is_master_node():
ar = HDFArchive(self.hdf_file,'a')
ar = HDFArchive(self.hdf_file,'r')
if subgrp in ar:
subgroup_present = True
# first read the necessary things:
@ -227,7 +227,7 @@ class SumkDFT:
"""
if not (mpi.is_master_node()): return # do nothing on nodes
ar = HDFArchive(self.hdf_file,'a')
ar = HDFArchive(self.hdf_file,'r')
if not subgrp in ar: mpi.report("Loading %s failed!"%subgrp)
list_to_return = []
for it in things_to_load:

2
python/sumk_dft_tools.py
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@ -600,7 +600,7 @@ class SumkDFTTools(SumkDFT):
# Check if wien converter was called and read transport subgroup form hdf file
if mpi.is_master_node():
ar = HDFArchive(self.hdf_file, 'a')
ar = HDFArchive(self.hdf_file, 'r')
if not (self.transp_data in ar): raise IOError, "transport_distribution: No %s subgroup in hdf file found! Call convert_transp_input first." %self.transp_data
self.read_transport_input_from_hdf()

2
python/symmetry.py
View File

@ -53,7 +53,7 @@ class Symmetry:
if mpi.is_master_node():
#Read the stuff on master:
ar = HDFArchive(hdf_file,'a')
ar = HDFArchive(hdf_file,'r')
if subgroup is None:
ar2 = ar
else: