Ecosyste.ms: Issues
An open API service for providing issue and pull request metadata for open source projects.
GitHub / molssi-seamm/packmol_step issues and pull requests
#38 - Bugfix: initial setup of packmol.ini file
Pull Request -
State: closed - Opened by paulsaxe 4 months ago
Labels: bug
#38 - Bugfix: initial setup of packmol.ini file
Pull Request -
State: closed - Opened by paulsaxe 4 months ago
Labels: bug
#37 - Bugfix: bonding incorrect in some cases.
Pull Request -
State: closed - Opened by paulsaxe 5 months ago
Labels: bug
#37 - Bugfix: bonding incorrect in some cases.
Pull Request -
State: closed - Opened by paulsaxe 5 months ago
Labels: bug
#36 - DevInternal release for error in Dockerfile
Pull Request -
State: closed - Opened by paulsaxe 5 months ago
#36 - DevInternal release for error in Dockerfile
Pull Request -
State: closed - Opened by paulsaxe 5 months ago
#35 - Fixing issue making the Docker image in the release.
Pull Request -
State: closed - Opened by paulsaxe 5 months ago
Labels: bug
#35 - Fixing issue making the Docker image in the release.
Pull Request -
State: closed - Opened by paulsaxe 5 months ago
Labels: bug
#33 - Limiting docker to only linux/amd64
Pull Request -
State: closed - Opened by paulsaxe 8 months ago
#33 - Limiting docker to only linux/amd64
Pull Request -
State: closed - Opened by paulsaxe 8 months ago
#32 - Fixed issue with Packmol not available for Linux/arm-64
Pull Request -
State: closed - Opened by seamm 8 months ago
#32 - Fixed issue with Packmol not available for Linux/arm-64
Pull Request -
State: closed - Opened by seamm 8 months ago
#31 - Fixed problem with Conda build
Pull Request -
State: closed - Opened by paulsaxe 8 months ago
Labels: bug
#31 - Fixed problem with Conda build
Pull Request -
State: closed - Opened by paulsaxe 8 months ago
Labels: bug
#30 - Updated for new installation scheme
Pull Request -
State: closed - Opened by paulsaxe 8 months ago
- 1 comment
Labels: enhancement
#30 - Updated for new installation scheme
Pull Request -
State: closed - Opened by paulsaxe 8 months ago
- 1 comment
Labels: enhancement
#29 - Added ability to run in containers.
Pull Request -
State: closed - Opened by paulsaxe 11 months ago
- 1 comment
Labels: enhancement
#29 - Added ability to run in containers.
Pull Request -
State: closed - Opened by paulsaxe 11 months ago
- 1 comment
Labels: enhancement
#28 - Switching periodic systems to fractional coordinates.
Pull Request -
State: closed - Opened by paulsaxe about 1 year ago
- 1 comment
Labels: enhancement
#28 - Switching periodic systems to fractional coordinates.
Pull Request -
State: closed - Opened by paulsaxe about 1 year ago
- 1 comment
Labels: enhancement
#27 - Reorganized documentation and switched to new theme
Pull Request -
State: closed - Opened by paulsaxe almost 2 years ago
- 1 comment
Labels: Documentation
#27 - Reorganized documentation and switched to new theme
Pull Request -
State: closed - Opened by paulsaxe almost 2 years ago
- 1 comment
Labels: Documentation
#26 - Issue with ions created using SMILES
Issue -
State: open - Opened by paulsaxe almost 2 years ago
Labels: bug
#26 - Issue with ions created using SMILES
Issue -
State: open - Opened by paulsaxe almost 2 years ago
Labels: bug
#25 - Add CodeQL workflow for GitHub code scanning
Pull Request -
State: closed - Opened by lgtm-com[bot] almost 2 years ago
- 1 comment
#25 - Add CodeQL workflow for GitHub code scanning
Pull Request -
State: closed - Opened by lgtm-com[bot] almost 2 years ago
- 1 comment
#24 - Substantial improvements
Pull Request -
State: closed - Opened by paulsaxe over 2 years ago
- 5 comments
Labels: enhancement
#24 - Substantial improvements
Pull Request -
State: closed - Opened by paulsaxe over 2 years ago
- 5 comments
Labels: enhancement
#23 - Removing integration tests for CI
Pull Request -
State: closed - Opened by paulsaxe about 3 years ago
- 1 comment
#23 - Removing integration tests for CI
Pull Request -
State: closed - Opened by paulsaxe about 3 years ago
- 1 comment
#22 - Correcting handling of bond orders and forcefield
Pull Request -
State: closed - Opened by paulsaxe about 3 years ago
- 1 comment
Labels: bug
#22 - Correcting handling of bond orders and forcefield
Pull Request -
State: closed - Opened by paulsaxe about 3 years ago
- 1 comment
Labels: bug
#21 - Bugfix for using the ideal gas approach
Pull Request -
State: closed - Opened by paulsaxe about 3 years ago
- 1 comment
Labels: bug
#20 - Added input of multiple species using SMILES
Pull Request -
State: closed - Opened by paulsaxe about 3 years ago
- 5 comments
Labels: enhancement
#19 - Added the plug-in specific installer for installing PACKMOL itself.
Pull Request -
State: closed - Opened by paulsaxe over 3 years ago
- 1 comment
#19 - Added the plug-in specific installer for installing PACKMOL itself.
Pull Request -
State: closed - Opened by paulsaxe over 3 years ago
- 1 comment
#18 - Updated to be compatible with the new system classes.
Pull Request -
State: closed - Opened by paulsaxe almost 4 years ago
- 1 comment
#18 - Updated to be compatible with the new system classes.
Pull Request -
State: closed - Opened by paulsaxe almost 4 years ago
- 1 comment
#17 - Adding the new documentation setup, and using CI to create
Pull Request -
State: closed - Opened by paulsaxe almost 4 years ago
- 1 comment
Labels: Documentation
#17 - Adding the new documentation setup, and using CI to create
Pull Request -
State: closed - Opened by paulsaxe almost 4 years ago
- 1 comment
Labels: Documentation
#16 - Updated for the new command-line argument handling
Pull Request -
State: closed - Opened by paulsaxe about 4 years ago
- 1 comment
Labels: enhancement
#16 - Updated for the new command-line argument handling
Pull Request -
State: closed - Opened by paulsaxe about 4 years ago
- 1 comment
Labels: enhancement
#15 - Adding citations
Pull Request -
State: closed - Opened by seamm about 4 years ago
#15 - Adding citations
Pull Request -
State: closed - Opened by seamm about 4 years ago
#14 - Missing citations
Issue -
State: closed - Opened by paulsaxe about 4 years ago
#14 - Missing citations
Issue -
State: closed - Opened by paulsaxe about 4 years ago
#13 - Packmol output file not written to disk.
Issue -
State: closed - Opened by paulsaxe about 4 years ago
#13 - Packmol output file not written to disk.
Issue -
State: closed - Opened by paulsaxe about 4 years ago
#12 - Moved to the new system.
Pull Request -
State: closed - Opened by paulsaxe about 4 years ago
- 1 comment
#12 - Moved to the new system.
Pull Request -
State: closed - Opened by paulsaxe about 4 years ago
- 1 comment
#11 - Added check in forcefield section for OpenKIM
Pull Request -
State: closed - Opened by paulsaxe over 4 years ago
- 1 comment
#11 - Added check in forcefield section for OpenKIM
Pull Request -
State: closed - Opened by paulsaxe over 4 years ago
- 1 comment
#10 - Bug packmol units
Pull Request -
State: closed - Opened by emarinri over 4 years ago
- 1 comment
#10 - Bug packmol units
Pull Request -
State: closed - Opened by emarinri over 4 years ago
- 1 comment
#9 - Changed requirements.txt into a minimal, pinned version.
Pull Request -
State: closed - Opened by paulsaxe over 4 years ago
- 1 comment
#9 - Changed requirements.txt into a minimal, pinned version.
Pull Request -
State: closed - Opened by paulsaxe over 4 years ago
- 1 comment
#8 - Fixed make install to uninstall first, avoiding surprises using old ve…
Pull Request -
State: closed - Opened by seamm almost 5 years ago
#8 - Fixed make install to uninstall first, avoiding surprises using old ve…
Pull Request -
State: closed - Opened by seamm almost 5 years ago
#7 - Bump pillow from 6.1.0 to 6.2.0
Pull Request -
State: closed - Opened by dependabot[bot] about 5 years ago
Labels: dependencies
#7 - Bump pillow from 6.1.0 to 6.2.0
Pull Request -
State: closed - Opened by dependabot[bot] about 5 years ago
Labels: dependencies
#6 - Using configuration files to find paths for executables.
Pull Request -
State: closed - Opened by seamm about 5 years ago
#5 - Cleanup/description
Pull Request -
State: closed - Opened by seamm over 5 years ago
#4 - Devops
Pull Request -
State: closed - Opened by seamm over 5 years ago
#3 - Initial Update
Issue -
State: closed - Opened by pyup-bot over 5 years ago
#2 - Rename
Pull Request -
State: closed - Opened by seamm over 5 years ago
#1 - Creating installation documentation
Pull Request -
State: closed - Opened by paulsaxe over 6 years ago