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Feature&Doc&Tests: Support for deepks_v_delta=-1&-2 #6245

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Merged
merged 14 commits into from
Jun 21, 2025
Merged

Feature&Doc&Tests: Support for deepks_v_delta=-1&-2 #6245

merged 14 commits into from
Jun 21, 2025

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ErjieWu
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@ErjieWu ErjieWu commented May 29, 2025 •
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Unit Tests and/or Case Tests for my changes

  • Unit test and integrate tests for deepks_v_delta=-1/-2 are added.

What's changed?

  • Add output for deepks_v_delta=-1, which output deepks_vdrpre.npy for trainning.
  • Change the method for data output for deepks_v_delta=-2 (previous -1). Remove the R_query variable.
  • Change the related descriptions in docs and add input value checks.

@ErjieWu ErjieWu requested a review from mohanchen May 29, 2025 08:44
@ErjieWu ErjieWu added Features Needed The features are indeed needed, and developers should have sophisticated knowledge Machine Learning Issues related to the DeePKS Unit Tests/Integreate Tests Issues/PR related to unit tests and integrate tests labels Jun 3, 2025
@ErjieWu ErjieWu closed this Jun 11, 2025
@ErjieWu ErjieWu reopened this Jun 11, 2025
@ErjieWu ErjieWu marked this pull request as ready for review June 20, 2025 09:15
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ErjieWu commented Jun 20, 2025

@mohanchen
All tests are added. Ready for merge.

@mohanchen mohanchen merged commit f049059 into deepmodeling:develop Jun 21, 2025
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@ErjieWu ErjieWu deleted the feature branch June 23, 2025 08:58
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@mohanchen mohanchen mohanchen approved these changes

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