aced-differentiate/auto_cat issues and pull requests

#40 - Add place_multiple_adsorbates fn

Pull Request - State: open - Opened by lancekavalsky 11 months ago
Labels: enhancement

#39 - Multiple adsorbate placement

Pull Request - State: open - Opened by lancekavalsky almost 2 years ago
Labels: enhancement

#38 - Update ML interfaces

Pull Request - State: closed - Opened by lancekavalsky almost 2 years ago

#37 - Cannot build slabs with high miller index

Issue - State: open - Opened by yaomz16 almost 2 years ago
Labels: enhancement

#36 - Autodeploy to PyPI

Issue - State: open - Opened by hegdevinayi almost 2 years ago
Labels: ci

#35 - Rotate NH and OH defaults

Pull Request - State: closed - Opened by lancekavalsky about 2 years ago

#34 - Update sl interfaces

Pull Request - State: closed - Opened by lancekavalsky about 2 years ago - 1 comment

#33 - Auto deployment of docs

Pull Request - State: closed - Opened by hegdevinayi about 2 years ago

#32 - Add learning modules and documentation

Pull Request - State: closed - Opened by hegdevinayi about 2 years ago

#31 - Update documentation

Pull Request - State: closed - Opened by hegdevinayi about 2 years ago - 1 comment

#30 - Type annotations for all arguments

Issue - State: open - Opened by hegdevinayi about 2 years ago
Labels: enhancement

#29 - Change learning module interfaces to accept objects as input

Issue - State: closed - Opened by hegdevinayi about 2 years ago
Labels: enhancement

#28 - Replace pymatgen substitution

Pull Request - State: closed - Opened by lancekavalsky about 2 years ago - 1 comment

#27 - Make unittests more modular

Issue - State: open - Opened by lancekavalsky over 2 years ago
Labels: enhancement

#26 - Refactor the learning module

Pull Request - State: closed - Opened by hegdevinayi over 2 years ago - 1 comment

#25 - Autocat learning module

Pull Request - State: closed - Opened by hegdevinayi over 2 years ago - 1 comment

#24 - Replace pymatgen dopant generation functionality

Issue - State: closed - Opened by hegdevinayi over 2 years ago
Labels: enhancement

#23 - Systematize ser/deser for all data structures

Issue - State: open - Opened by hegdevinayi over 2 years ago
Labels: enhancement

#22 - incorporating adsorption structures into sl framework

Issue - State: open - Opened by lancekavalsky over 2 years ago
Labels: enhancement

#21 - fix github actions: install package before testing

Pull Request - State: closed - Opened by hegdevinayi over 3 years ago

#20 - Set up CI with GitHub Actions

Pull Request - State: closed - Opened by hegdevinayi over 3 years ago - 1 comment

#19 - Refactor the structure generation modules

Pull Request - State: closed - Opened by lancekavalsky over 3 years ago - 1 comment

#18 - BugFix: Removes constraints when visualizing with view_ads_sites

Pull Request - State: closed - Opened by lancekavalsky over 3 years ago

#17 - Allow atoms object for adsorption directory functions

Issue - State: closed - Opened by lancekavalsky over 3 years ago
Labels: bug

#16 - view_ads_sites with constraints

Issue - State: closed - Opened by lancekavalsky over 3 years ago
Labels: bug

#15 - Build Library of Lattice Constants

Issue - State: closed - Opened by lancekavalsky over 3 years ago - 1 comment

#14 - Multiple Adsorption for Dissociative Mechanisms

Issue - State: open - Opened by lancekavalsky over 3 years ago
Labels: enhancement