-
Notifications
You must be signed in to change notification settings - Fork 3
Commit
This commit does not belong to any branch on this repository, and may belong to a fork outside of the repository.
Merge pull request #15 from AlexHeide/master
Initial package setup.
- Loading branch information
Showing
1,068 changed files
with
21,968 additions
and
51,531 deletions.
There are no files selected for viewing
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Original file line number | Diff line number | Diff line change |
---|---|---|
@@ -0,0 +1 @@ | ||
concordantmodes/_version.py export-subst |
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Original file line number | Diff line number | Diff line change |
---|---|---|
@@ -0,0 +1,34 @@ | ||
name: Lint | ||
|
||
on: | ||
push: | ||
branches: | ||
- master | ||
pull_request: | ||
branches: | ||
- master | ||
|
||
jobs: | ||
build: | ||
runs-on: ubuntu-latest | ||
strategy: | ||
matrix: | ||
python-version: [3.9] | ||
|
||
steps: | ||
- uses: actions/checkout@v2 | ||
|
||
- name: Python Setup | ||
uses: actions/setup-python@v1 | ||
with: | ||
python-version: ${{ matrix.python-version }} | ||
|
||
- name: Create Environment | ||
shell: bash | ||
run: | | ||
python -m pip install --upgrade pip | ||
python -m pip install black==22.10 # pinned because the style changes with version | ||
- name: Lint | ||
shell: bash | ||
run: black concordantmodes --check | ||
|
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Original file line number | Diff line number | Diff line change |
---|---|---|
@@ -0,0 +1,4 @@ | ||
concordantmodes.egg-info/ | ||
concordantmodes/__pycache__/ | ||
concordantmodes.*pyc | ||
|
24 changes: 0 additions & 24 deletions
24
Example/1_H2O/psi4/CMA_0A/manual_submission/Step1/DispsInit/1/input.dat
This file was deleted.
Oops, something went wrong.
24 changes: 0 additions & 24 deletions
24
Example/1_H2O/psi4/CMA_0A/manual_submission/Step1/DispsInit/10/input.dat
This file was deleted.
Oops, something went wrong.
24 changes: 0 additions & 24 deletions
24
Example/1_H2O/psi4/CMA_0A/manual_submission/Step1/DispsInit/11/input.dat
This file was deleted.
Oops, something went wrong.
24 changes: 0 additions & 24 deletions
24
Example/1_H2O/psi4/CMA_0A/manual_submission/Step1/DispsInit/12/input.dat
This file was deleted.
Oops, something went wrong.
24 changes: 0 additions & 24 deletions
24
Example/1_H2O/psi4/CMA_0A/manual_submission/Step1/DispsInit/13/input.dat
This file was deleted.
Oops, something went wrong.
24 changes: 0 additions & 24 deletions
24
Example/1_H2O/psi4/CMA_0A/manual_submission/Step1/DispsInit/2/input.dat
This file was deleted.
Oops, something went wrong.
24 changes: 0 additions & 24 deletions
24
Example/1_H2O/psi4/CMA_0A/manual_submission/Step1/DispsInit/3/input.dat
This file was deleted.
Oops, something went wrong.
24 changes: 0 additions & 24 deletions
24
Example/1_H2O/psi4/CMA_0A/manual_submission/Step1/DispsInit/4/input.dat
This file was deleted.
Oops, something went wrong.
24 changes: 0 additions & 24 deletions
24
Example/1_H2O/psi4/CMA_0A/manual_submission/Step1/DispsInit/5/input.dat
This file was deleted.
Oops, something went wrong.
24 changes: 0 additions & 24 deletions
24
Example/1_H2O/psi4/CMA_0A/manual_submission/Step1/DispsInit/6/input.dat
This file was deleted.
Oops, something went wrong.
24 changes: 0 additions & 24 deletions
24
Example/1_H2O/psi4/CMA_0A/manual_submission/Step1/DispsInit/7/input.dat
This file was deleted.
Oops, something went wrong.
24 changes: 0 additions & 24 deletions
24
Example/1_H2O/psi4/CMA_0A/manual_submission/Step1/DispsInit/8/input.dat
This file was deleted.
Oops, something went wrong.
24 changes: 0 additions & 24 deletions
24
Example/1_H2O/psi4/CMA_0A/manual_submission/Step1/DispsInit/9/input.dat
This file was deleted.
Oops, something went wrong.
This file was deleted.
Oops, something went wrong.
Oops, something went wrong.