dpgen
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Improve function `pert_scaled`
My suggestion:
- Separate VASP and ABACUS into separated functions (and may be separated files). This will helpful to someone who want to implement a new DFT engine and also convenient for maintain.
Summary by CodeRabbit
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New Features
- Enhanced
pert_scaledfunction to support different initialization styles ("VASP" or "ABACUS").
- Enhanced
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Refactor
- Improved loop logic and file handling for better performance and reliability in perturbation processes.