Refactor class Charge to template#6865
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linpeize wants to merge 4 commits intodeepmodeling:developfrom
Closed
Refactor class Charge to template#6865linpeize wants to merge 4 commits intodeepmodeling:developfrom
linpeize wants to merge 4 commits intodeepmodeling:developfrom
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Conflicts: source/source_pw/module_ofdft/evolve_ofdft.cpp source/source_pw/module_ofdft/evolve_ofdft.h
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Collaborator
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We need discussion whether to include this feature. |
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Is the goal here to make the Charge class and related operations compatible with GPU compute? I found that for large cell calculations Charge related operations can take significant time (say 30%-50%). |
Collaborator
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Will write a new class without modifying the Charge class. |
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Refactor
class Chargetotemplate class Charge.Currently, only
Charge<double>is used in the program.