Ecosyste.ms: Issues
An open API service for providing issue and pull request metadata for open source projects.
GitHub / lanl/Architector issues and pull requests
#29 - Dealing with hydride ligands
Issue -
State: open - Opened by lmoranglez 4 months ago
- 1 comment
#28 - Simplify getting minimum energy strucutre in io_arch_dock.py
Pull Request -
State: open - Opened by levineds 6 months ago
#27 - Difficulty exporting .xyz files
Issue -
State: closed - Opened by madelinemarte 8 months ago
#26 - [Minor bug] override_oxo_opt
Issue -
State: closed - Opened by espottesmith 12 months ago
- 2 comments
#25 - Syntax typo in inputDict example in README file
Issue -
State: closed - Opened by hkneiding about 1 year ago
- 1 comment
#24 - Architector conformer limit
Issue -
State: closed - Opened by psingams over 1 year ago
- 1 comment
#23 - 'crest_sampling' energies
Issue -
State: closed - Opened by S1chemf over 1 year ago
- 3 comments
Labels: Bug
#22 - Oxo handling
Pull Request -
State: closed - Opened by mgt16-LANL over 1 year ago
#21 - Add user-facing CREST commandline option control
Pull Request -
State: closed - Opened by mgt16-LANL over 1 year ago
- 1 comment
#20 - Non metal allow
Pull Request -
State: closed - Opened by mgt16-LANL over 1 year ago
#19 - Dealing with hapticity
Issue -
State: closed - Opened by Jonahowns over 1 year ago
- 3 comments
#18 - meaning of "n_conformers" and “n_symmetries”
Issue -
State: closed - Opened by S1chemf over 1 year ago
- 2 comments
#17 - Remove sqlalchemy dependency.
Pull Request -
State: closed - Opened by mgt16-LANL over 1 year ago
#16 - Remove sqlalchemy restriction
Pull Request -
State: closed - Opened by jan-janssen over 1 year ago
- 1 comment
#15 - 'crest_sampling' Failing During Complex Generation
Issue -
State: closed - Opened by ankur56 over 1 year ago
- 4 comments
#14 - Ff preopt
Pull Request -
State: closed - Opened by mgt16-LANL over 1 year ago
#13 - How to generate complex with ethylene as ligand
Issue -
State: open - Opened by iuhgnor almost 2 years ago
- 2 comments
Labels: Enhancement
#12 - Installation on apple silicon
Issue -
State: closed - Opened by lubbersnick about 2 years ago
- 1 comment
#11 - Mgt16 lanl patch 1
Pull Request -
State: closed - Opened by mgt16-LANL about 2 years ago
#10 - Use miniforge-variant: Mambaforge
Pull Request -
State: closed - Opened by jan-janssen about 2 years ago
#9 - Bug fixing
Pull Request -
State: closed - Opened by mgt16-LANL about 2 years ago
#8 - Remove version modification for pypi
Pull Request -
State: closed - Opened by jan-janssen about 2 years ago
#7 - remove dependency on importlib
Pull Request -
State: closed - Opened by jan-janssen about 2 years ago
#6 - Add pynauty as dependency in setup.py
Pull Request -
State: closed - Opened by jan-janssen about 2 years ago
#5 - Versioneer
Pull Request -
State: closed - Opened by jan-janssen about 2 years ago
#4 - Add Continuous Integration
Pull Request -
State: closed - Opened by jan-janssen about 2 years ago
#3 - Add Continous Integration
Pull Request -
State: closed - Opened by jan-janssen about 2 years ago
- 1 comment
#2 - Update setup.py to be compatible with pypi
Pull Request -
State: closed - Opened by jan-janssen about 2 years ago
#1 - Updated README.md
Pull Request -
State: closed - Opened by djburrill about 2 years ago