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14 Open 32 Closed
14 Open 32 Closed
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Issues list

Infra for screening on surface energy in it current state + infra for wulff construction enhancement New feature or request
#166 opened Sep 20, 2022 by brookwander
@brookwander
Improve documentation markdown files documentation Improvements or additions to documentation
#165 opened Sep 20, 2022 by brookwander
@brookwander
Allow step number to be assigned different values for different adsorbates enhancement New feature or request
#162 opened Sep 15, 2022 by brookwander
@brookwander
DFT atomate workflow and input generation enhancement New feature or request
#161 opened Sep 15, 2022 by brookwander
@CifLord @KirbyBroderick
Improving Surface Energy Predictions enhancement New feature or request
#160 opened Sep 15, 2022 by brookwander
@CifLord @KirbyBroderick
Add surf-graph as an option to place adsorbates enhancement New feature or request
#159 opened Sep 15, 2022 by brookwander
@hmera5
1
Slabs may be used as inputs rather than needing enumeration from bulks enhancement New feature or request
#158 opened Sep 15, 2022 by brookwander
@unnattisharma
Switching to wyckoff surface atom tagging enhancement New feature or request
#157 opened Sep 15, 2022 by brookwander
1
@brookwander
num_adslabs should be removed via refactor
#142 opened Aug 30, 2022 by KirbyBroderick
@KirbyBroderick
1
pbx_dicts variable in bin/predictions dose nothing bug Something isn't working
#141 opened Aug 30, 2022 by KirbyBroderick
@KirbyBroderick
Pass MP API key to workers
#96 opened Apr 18, 2022 by KirbyBroderick
@KirbyBroderick
3
Predicting relaxed bulk structure
#83 opened Feb 16, 2022 by brookwander
@CifLord
Adding Pari's random placement strategies enhancement New feature or request
#81 opened Feb 16, 2022 by brookwander
@hmera5
1
Template
#29 opened Dec 2, 2021 by brookwander
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