scnc
/
qmcpack
mirror of https://github.com/QMCPACK/qmcpack.git
1
0
Fork 0
Code Issues Packages Projects Releases Wiki Activity

nexus: small fixes

This commit is contained in:
Jaron Krogel 2019-11-21 16:32:12 -05:00
parent 79c8ffe1c9
commit 9b1250b9e8
2 changed files with 3 additions and 3 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

4
nexus/bin/nxs-test
View File

@ -2058,7 +2058,7 @@ def regenerate_reference(update=False):
#end if
# execute all example scripts in generate_only mode
for label,einfo in example_information.iteritems():
for label,einfo in example_information.items():
example_path = einfo['path']
for script in einfo['scripts']:
nlog('generating reference data for '+script,n=1)
@ -2107,7 +2107,7 @@ def regenerate_reference(update=False):
failed_examples = []
all_examples = []
ref_example_dir = os.path.join(reference_dir,exdir)
for label,einfo in example_information.iteritems():
for label,einfo in example_information.items():
example_path = einfo['path']
for code,filetype,filepath in einfo['files']:
ref_filepath = os.path.join(ref_example_dir,example_path,filepath)

2
nexus/bin/qdens
View File

@ -513,7 +513,7 @@ class StatFile(QDBase):
opt = self.options
if len(self.spin_density_data)==1 and opt.grids is None and opt.grid is not None:
opt.grids = obj()
opt.grids[self.spin_density_data.keys()[0]] = opt.grid
opt.grids[list(self.spin_density_data.keys())[0]] = opt.grid
#end if
#end def read