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Add support for computing adsorption energies
CI #830: Pull request #113 synchronize by WardLT
October 25, 2023 11:13 13m 4s add_adsorp
October 25, 2023 11:13 13m 4s
Ensure we store which atoms are fixed
CI #829: Commit 9ee633a pushed by WardLT
October 25, 2023 11:13 13m 13s add_adsorp
October 25, 2023 11:13 13m 13s
Add support for computing adsorption energies
Deploy Docs #238: Pull request #113 synchronize by WardLT
October 24, 2023 19:11 1m 25s add_adsorp
October 24, 2023 19:11 1m 25s
Add support for computing adsorption energies
CI #828: Pull request #113 synchronize by WardLT
October 24, 2023 19:11 8m 10s add_adsorp
October 24, 2023 19:11 8m 10s
Adjust mixing terms, ensure to write masking
CI #827: Commit 49dfcff pushed by WardLT
October 24, 2023 19:11 9m 36s add_adsorp
October 24, 2023 19:11 9m 36s
Add support for computing adsorption energies
Deploy Docs #237: Pull request #113 synchronize by WardLT
October 24, 2023 13:07 1m 14s add_adsorp
October 24, 2023 13:07 1m 14s
Add support for computing adsorption energies
CI #826: Pull request #113 synchronize by WardLT
October 24, 2023 13:07 12m 18s add_adsorp
October 24, 2023 13:07 12m 18s
Support relaxation for 3D structures
CI #825: Commit bb56c9a pushed by WardLT
October 24, 2023 13:07 9m 46s add_adsorp
October 24, 2023 13:07 9m 46s
Add support for computing adsorption energies
Deploy Docs #236: Pull request #113 synchronize by WardLT
October 24, 2023 10:59 1m 8s add_adsorp
October 24, 2023 10:59 1m 8s
Add support for computing adsorption energies
CI #824: Pull request #113 synchronize by WardLT
October 24, 2023 10:59 4m 39s add_adsorp
October 24, 2023 10:59 4m 39s
Merge branch 'main' into add_adsorp
CI #823: Commit 7136722 pushed by WardLT
October 24, 2023 10:59 6m 34s add_adsorp
October 24, 2023 10:59 6m 34s
Update with newer syntax
CI #822: Commit ddfa2c5 pushed by WardLT
October 24, 2023 10:41 13m 58s update_bebop
October 24, 2023 10:41 13m 58s
Minor documentation fixes
Deploy Docs #235: Commit c7e87d8 pushed by WardLT
October 20, 2023 17:43 1m 42s main
October 20, 2023 17:43 1m 42s
Minor documentation fixes
CI #821: Commit c7e87d8 pushed by WardLT
October 20, 2023 17:43 10m 32s main
October 20, 2023 17:43 10m 32s
Introduce a "Store" class (#119)
Deploy Docs #234: Commit 169d61e pushed by WardLT
October 20, 2023 17:11 1m 48s main
October 20, 2023 17:11 1m 48s
Introduce a "Store" class (#119)
CI #820: Commit 169d61e pushed by WardLT
October 20, 2023 17:11 12m 20s main
October 20, 2023 17:11 12m 20s
Introduce a "Store" class
CI #819: Pull request #119 synchronize by WardLT
October 20, 2023 16:59 10m 28s refactor_database
October 20, 2023 16:59 10m 28s
Introduce a "Store" class
Deploy Docs #233: Pull request #119 synchronize by WardLT
October 20, 2023 16:59 1m 15s refactor_database
October 20, 2023 16:59 1m 15s
Add test for specs and brute force
CI #818: Commit 4e4a6a6 pushed by WardLT
October 20, 2023 16:59 10m 8s refactor_database
October 20, 2023 16:59 10m 8s
Introduce a "Store" class
Deploy Docs #232: Pull request #119 synchronize by WardLT
October 20, 2023 16:21 1m 29s refactor_database
October 20, 2023 16:21 1m 29s
Introduce a "Store" class
CI #817: Pull request #119 synchronize by WardLT
October 20, 2023 16:21 9m 31s refactor_database
October 20, 2023 16:21 9m 31s
Update the pyproject file too
CI #816: Commit a5a8901 pushed by WardLT
October 20, 2023 16:21 8m 57s refactor_database
October 20, 2023 16:21 8m 57s
Introduce a "Store" class
Deploy Docs #231: Pull request #119 synchronize by WardLT
October 20, 2023 16:18 1m 22s refactor_database
October 20, 2023 16:18 1m 22s
Introduce a "Store" class
CI #815: Pull request #119 synchronize by WardLT
October 20, 2023 16:18 9m 37s refactor_database
October 20, 2023 16:18 9m 37s
Drop use of mongoengine for pydantic
CI #814: Commit a393c2d pushed by WardLT
October 20, 2023 16:18 10m 27s refactor_database
October 20, 2023 16:18 10m 27s
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