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Use a built-in ase calculator like LennardJones to place the adsorbate at a reasonable height
enhancement
New feature or request
#14
opened Apr 1, 2022 by
sevyharris
Use 1 or 2 atom cell for faster bulk constant calculations
enhancement
New feature or request
#12
opened Mar 18, 2022 by
sevyharris
Abstract away pseudopotentials
enhancement
New feature or request
#8
opened Mar 16, 2022 by
sevyharris
Add run scripts for COBALT cluster environment
enhancement
New feature or request
#5
opened Mar 14, 2022 by
sevyharris
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