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Pull requests: materialyzeai/matcalc
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Add
AdsorptionCalc Class for Adsorption Energy Calculation
#118
opened Nov 4, 2025 by
mkphuthi
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3 of 4 tasks
Add
InterfaceCalc Class for Interface Structure and Energy Calculation
#117
opened Oct 31, 2025 by
so2koo
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3 of 4 tasks
[WIP] Add
GBCalc class for Grain Boundary Energy Calculation
#111
opened Sep 23, 2025 by
atulcthakur
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3 tasks done
[WIP] Add
PheasyCalc class for higher order phonon calculations
#65
opened Apr 17, 2025 by
leslie-zheng
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4 tasks
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