[pre-commit.ci] pre-commit autoupdate #673
Merged
Conversation
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
![pre-commit-ci[bot]](https://avatars.githubusercontent.com/in/68672?s=60&v=4){kind=small}
updates: - [github.com/psf/black: 22.3.0 → 22.6.0](psf/black@22.3.0...22.6.0)
Codecov Report
@@ Coverage Diff @@
## main #673 +/- ##
=======================================
Coverage 90.77% 90.77%
=======================================
Files 56 56
Lines 4618 4618
=======================================
Hits 4192 4192
Misses 426 426 Continue to review full report at Codecov.
|
CalCraven
added a commit
that referenced
this pull request
Jul 21, 2022
* [pre-commit.ci] pre-commit autoupdate (#673) updates: - [github.com/psf/black: 22.3.0 → 22.6.0](psf/black@22.3.0...22.6.0) Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> * Revert to older versions of forcefield * Add import for xml_representation in parameteric potential" * Added tests for generating a forcefield object from a GMSO topology * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * Remove unused import * pin unyt to version 2.8 * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
daico007
pushed a commit
that referenced
this pull request
Aug 2, 2022
* [pre-commit.ci] pre-commit autoupdate (#673) updates: - [github.com/psf/black: 22.3.0 → 22.6.0](psf/black@22.3.0...22.6.0) Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> * Revert to older versions of forcefield * Add import for xml_representation in parameteric potential" * Added tests for generating a forcefield object from a GMSO topology * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * Remove unused import * pin unyt to version 2.8 * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * Populate group names with top level compound names if hierarchy doesn't exist Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
daico007
added a commit
that referenced
this pull request
Aug 10, 2022
* [pre-commit.ci] pre-commit autoupdate (#673) updates: - [github.com/psf/black: 22.3.0 → 22.6.0](psf/black@22.3.0...22.6.0) Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> * Revert to older versions of forcefield * Add import for xml_representation in parameteric potential" * Added tests for generating a forcefield object from a GMSO topology * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * Remove unused import * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * pin unyt until further fix * pin unyt to version that supports 3.7 (#676) * reorder connection_members based on the matched connection_type * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * remove the reordering of connection member * add unit test * fix bug with improper wildcard searching * fix inconsistent member order of improper generated by identify_connection * sort by index instead of by position Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> Co-authored-by: CalCraven <nicholas.c.craven@vanderbilt.edu> Co-authored-by: CalCraven <54594941+CalCraven@users.noreply.github.com>
daico007
added a commit
that referenced
this pull request
Aug 17, 2022
* [pre-commit.ci] pre-commit autoupdate (#673) updates: - [github.com/psf/black: 22.3.0 → 22.6.0](psf/black@22.3.0...22.6.0) Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> * Revert to older versions of forcefield * Add import for xml_representation in parameteric potential" * Added tests for generating a forcefield object from a GMSO topology * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * Remove unused import * pin unyt to version 2.8 * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * Custom Groups in convert from_mbuild * Switch error to warning upon adding extra group labels in mbuild_conversion * Add test to check for mBuild conversion of a compound that would have no bond graph due to being part of a larger compound hierarchy * Update gmso/external/convert_mbuild.py Co-authored-by: Co Quach <43968221+daico007@users.noreply.github.com> * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> Co-authored-by: Co Quach <43968221+daico007@users.noreply.github.com> Co-authored-by: Co Quach <daico007@gmail.com>
daico007
added a commit
that referenced
this pull request
Sep 13, 2022
…nd (#690) * [pre-commit.ci] pre-commit autoupdate (#673) updates: - [github.com/psf/black: 22.3.0 → 22.6.0](psf/black@22.3.0...22.6.0) Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> * Revert to older versions of forcefield * Add import for xml_representation in parameteric potential" * Added tests for generating a forcefield object from a GMSO topology * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * Remove unused import * pin unyt to version 2.8 * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * Changes to xml testing using forcefield-utilities * Add testing for ff-utils as backend * Initial Testing for GMSO xml file handling * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * Identify tests in gmso that wont work for ffutils backend * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * Modify gmso test xmls to fit updated standards for loading into a ForceField object * Fixes for units handling of elementary charge, and adding of __eq__ checks * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * Address issues raised by @daico007 and and @bc118 * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * Update gmso/utils/misc.py Co-authored-by: Co Quach <43968221+daico007@users.noreply.github.com> * fixes for extra imports Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> Co-authored-by: Co Quach <43968221+daico007@users.noreply.github.com>
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
updates: