***
Wartungsfenster jeden ersten Mittwoch vormittag im Monat
***
Skip to content
GitLab
Explore
Sign in
Primary navigation
Search or go to…
Project
B
braids
Manage
Activity
Members
Labels
Plan
Issues
Issue boards
Milestones
Iterations
Wiki
Requirements
Code
Merge requests
Repository
Branches
Commits
Tags
Repository graph
Compare revisions
Snippets
Locked files
Build
Pipelines
Jobs
Pipeline schedules
Test cases
Artifacts
Deploy
Releases
Package registry
Model registry
Operate
Environments
Terraform modules
Monitor
Incidents
Analyze
Value stream analytics
Contributor analytics
CI/CD analytics
Repository analytics
Code review analytics
Issue analytics
Insights
Model experiments
Help
Help
Support
GitLab documentation
Compare GitLab plans
Community forum
Contribute to GitLab
Provide feedback
Terms and privacy
Keyboard shortcuts
?
Snippets
Groups
Projects
Show more breadcrumbs
E138 Institute of Solid State Physics
E138-01 Computational Materials Science
Software
braids
Commits
c2ee1131
Commit
c2ee1131
authored
1 year ago
by
Kappl, Patrick
Browse files
Options
Downloads
Patches
Plain Diff
Fix name ambiguity due to import braids.braids
parent
40375a40
No related branches found
No related tags found
No related merge requests found
Changes
1
Hide whitespace changes
Inline
Side-by-side
Showing
1 changed file
src/braids/diamondoid_braids.py
+11
-11
11 additions, 11 deletions
src/braids/diamondoid_braids.py
with
11 additions
and
11 deletions
src/braids/diamondoid_braids.py
+
11
−
11
View file @
c2ee1131
...
...
@@ -17,9 +17,9 @@ import w2file
import
w2tree.utility
import
w2diag.raman
import
braids.get_version
import
braids.braids
as
braids
import
braids.diamondoid
as
diamondoid
import
braids.get_version
as
get_version
# Matplotlib style
...
...
@@ -52,7 +52,7 @@ CHANNELS = ["25", "41", "63", "23", "45", "61", "21", "43", "65"]
@click.group
()
@click.version_option
(
version
=
braids
.
get_version
.
get_version
())
@click.version_option
(
version
=
get_version
.
get_version
())
def
diabraids
():
pass
...
...
@@ -60,7 +60,7 @@ def diabraids():
# TODO: Make default value of niwf = min(niwf_Gamma, niwb_Gamma) - 1 or
# - niwf_bar - 1, depending on how targetcutoff is really defined
@diabraids.command
()
@click.version_option
(
version
=
braids
.
get_version
.
get_version
())
@click.version_option
(
version
=
get_version
.
get_version
())
@click.option
(
"
--directory
"
,
"
-d
"
,
type
=
click
.
Path
(
exists
=
True
),
default
=
"
.
"
,
show_default
=
True
,
help
=
(
"
The w2tree directory containing the
'
dmft
'
and
"
...
...
@@ -148,7 +148,7 @@ def compute_Ms(directory, prefix, niwf, iwf_bar_limits, gamma_type):
# TODO: Rename nu-bar to iwf-bar and make it required without a default
@diabraids.command
()
@click.version_option
(
version
=
braids
.
get_version
.
get_version
())
@click.version_option
(
version
=
get_version
.
get_version
())
@click.option
(
"
--m-filename
"
,
"
-f
"
,
type
=
click
.
Path
(
exists
=
True
),
help
=
(
"
Name of the M data file. If not given, the HDF5
"
"
file with the latest timestamp is used.
"
))
...
...
@@ -208,7 +208,7 @@ def solve_eigenproblem(directory, m_filename, iwf_bar, k, which, dense):
@diabraids.command
()
@click.version_option
(
version
=
braids
.
get_version
.
get_version
())
@click.version_option
(
version
=
get_version
.
get_version
())
@click.option
(
"
--m-filename
"
,
"
-f
"
,
type
=
click
.
Path
(
exists
=
True
),
help
=
(
"
Name of the M data file. If not given, the HDF5
"
"
file with the latest timestamp is used.
"
))
...
...
@@ -351,7 +351,7 @@ def compute_L(m_filename, directory, iwf_bar_limits, output_prefix):
@diabraids.command
()
@click.version_option
(
version
=
braids
.
get_version
.
get_version
())
@click.version_option
(
version
=
get_version
.
get_version
())
@click.option
(
"
--m-filename
"
,
"
-f
"
,
type
=
click
.
Path
(
exists
=
True
),
help
=
(
"
Name of the M data file. If not given, the HDF5
"
"
file with the latest timestamp is used.
"
))
...
...
@@ -443,7 +443,7 @@ def plot_eigenvalues(m_filename, directory, iwf_bars, which,
# TODO: Split this into compute_chi2() and plot_chi2()
@diabraids.command
()
@click.version_option
(
version
=
braids
.
get_version
.
get_version
())
@click.version_option
(
version
=
get_version
.
get_version
())
@click.option
(
"
--l-filename
"
,
"
-f
"
,
type
=
click
.
Path
(
exists
=
True
),
help
=
(
"
Name of the L data file. If not given, the HDF5
"
"
file with the latest timestamp is used.
"
))
...
...
@@ -614,7 +614,7 @@ def compute_chi2(l_filename, directory, which, niwb, iwf_bar_limits, channel,
@diabraids.command
()
@click.version_option
(
version
=
braids
.
get_version
.
get_version
())
@click.version_option
(
version
=
get_version
.
get_version
())
@click.option
(
"
--filename
"
,
"
-f
"
,
type
=
click
.
Path
(
exists
=
True
),
help
=
(
"
Name of the chi2 data file. If not given, the HDF5
"
"
file with the latest timestamp is used.
"
))
...
...
@@ -719,7 +719,7 @@ def add_config_info_to_m_file(
vertices_directory
:
pathlib
.
Path
,
iwf_bars
:
list
,
niwf
:
int
):
_
,
beta
,
U
,
total_density
,
dmft_file_path
=
braids
.
get_dmft_data
(
directory
)
config
=
m_file
.
create_group
(
"
.config
"
)
config
.
attrs
[
"
version
"
]
=
braids
.
get_version
.
get_version
()
config
.
attrs
[
"
version
"
]
=
get_version
.
get_version
()
config
.
attrs
[
"
total density
"
]
=
total_density
config
.
attrs
[
"
U
"
]
=
U
config
.
attrs
[
"
beta
"
]
=
beta
...
...
@@ -733,7 +733,7 @@ def add_config_info_to_l_file(
l_file
:
h5py
.
File
,
m_file
:
h5py
.
File
,
m_file_path
:
pathlib
.
Path
,
iwf_bars
:
list
):
config
=
l_file
.
create_group
(
"
.config
"
)
config
.
attrs
[
"
version
"
]
=
braids
.
get_version
.
get_version
()
config
.
attrs
[
"
version
"
]
=
get_version
.
get_version
()
config
.
attrs
[
"
M file
"
]
=
os
.
path
.
relpath
(
m_file_path
)
config
.
attrs
[
"
iwf_bars
"
]
=
iwf_bars
# Copy over the rest
...
...
@@ -750,7 +750,7 @@ def add_config_info_to_chi2_file(
chi2_file
:
h5py
.
File
,
l_file_path
:
pathlib
.
Path
,
f_file_path
:
pathlib
.
Path
,
iwf_bars
:
list
,
niwb
:
int
):
config
=
chi2_file
.
require_group
(
"
.config
"
)
config
.
attrs
[
"
version
"
]
=
braids
.
get_version
.
get_version
()
config
.
attrs
[
"
version
"
]
=
get_version
.
get_version
()
config
.
attrs
[
"
L file
"
]
=
os
.
path
.
relpath
(
l_file_path
)
config
.
attrs
[
"
F file
"
]
=
os
.
path
.
relpath
(
f_file_path
)
config
.
attrs
[
"
iwf_bars
"
]
=
iwf_bars
...
...
This diff is collapsed.
Click to expand it.
Preview
0%
Loading
Try again
or
attach a new file
.
Cancel
You are about to add
0
people
to the discussion. Proceed with caution.
Finish editing this message first!
Save comment
Cancel
Please
register
or
sign in
to comment