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Merged
brucefan1983 merged 12 commits into from
Dec 31, 2025
Merged

lambda_q and lambda_ z #1293

brucefan1983 merged 12 commits into from
Dec 31, 2025

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@brucefan1983
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@brucefan1983 brucefan1983 commented Dec 31, 2025 •
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Summary

Add

  • lambda_q, the loss weight for total charge.
  • lambda_z, the loss weight for BEC.

Example:

charge_mode 2
type        2 H O
cutoff      6 4
lambda_q    0.5
lambda_z    1
generation  12000

Relevant screen output:

    (input)   use NEP-Charge and include k-space only.
        lambda_q = 0.5.
        lambda_z = 1.

Results for 12000 steps:

untitled untitled

@brucefan1983 brucefan1983 changed the title lambda_ bec lambda_ z Dec 31, 2025
@brucefan1983 brucefan1983 requested a review from erhart1 December 31, 2025 20:16
@brucefan1983 brucefan1983 changed the title lambda_ z lambda_q and lambda_ z Dec 31, 2025
@brucefan1983 brucefan1983 merged commit 9cd52a8 into master Dec 31, 2025
2 checks passed
@brucefan1983 brucefan1983 deleted the try_population_mix branch December 31, 2025 21:10
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@brucefan1983