Fix v2 gap update for scider #22
Open
Conversation
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
…ts in training process
…n fill_feat_ to avoid training paused (seen in execution_train_2025-04-22-02-42-39)
…tements. This version works for training complete band-gap scider model (trained with molecules and solids data), see execution_train_2025-05-16-05-38-54; But different from misc_fixes_and_misc branch commit ab4295a because this commit uses dbaseline[orb] += np.sum(da[s] * drho_tmp) in MOLGP2 instead of dbaseline[orb] += np.sum(da[s] * drho_tmp * wt)
….py to avoid 'NLDF exponent is too large' error when running cider dft calculation
… libxc_baselines.c and add arguments in different functions in Kernel related functions to pass omega all the way to libxc) and re-cmake
…camke again with new CMakeLists.txt (compared with fix_sl_feat branch) and link ciderpress to my local libxc-6.2.2 instead of downloading libxc-7.0.0
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
2 participants
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
This is the version I used for training/running scider calculations (date: 2025-10-10 16:19)