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Enhancement: Implement Cyclic Learning Rate and Step-wise Learning Rate Scheduler
#211
by Franklalalala
was closed Nov 18, 2024
Add TensorBoard Support
Feature Request
New feature or request
#207
by QG-phy
was closed Aug 27, 2024
Add support for data batchlization of structures with different shapes of kpoints and eigenvalues.
#170
by floatingCatty
was closed May 11, 2024
Allow run model without providing AtomicData_options
Refactor
code refactoring
#155
by floatingCatty
was closed Aug 13, 2024
KeyError When Accessing '1d' in Dictionary During Checkpoint Loading for NNSK Training
#138
by T-S-Liang
was closed Apr 22, 2024
Add E3NN represent Hamiltonian
Feature Request
New feature or request
#62
by QG-phy
was closed Feb 2, 2024
add TBtrans interface instruction to docs and example
documentation
Improvements or additions to documentation
#51
by AsymmetryChou
was closed Dec 25, 2023
test will add new file to tracked files in repository
Bug Report
Something isn't working
#45
by QG-phy
was closed Nov 3, 2023
Change the rotation of SK transform into rotation of e3 group
Refactor
code refactoring
#40
by floatingCatty
was closed Feb 2, 2024
[docs] update deeptb docs
documentation
Improvements or additions to documentation
#33
by QG-phy
was closed Oct 19, 2023
Adding Non-equilibrium Green's Function module into postprocessing of DeePTB
Refactor
code refactoring
#31
by floatingCatty
was closed Nov 2, 2023
Corresponding to onsitefunction, is it better to change skfunction to hoppingfunction?
Style
code style change do not affect the code feature at all
#30
by QG-phy
was closed Oct 17, 2023
Support DFTB+ skf file as SKTB init parameters
Feature Request
New feature or request
#29
by QG-phy
was closed Apr 19, 2024
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