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  1. abacus-develop abacus-develop Public

    Forked from deepmodeling/abacus-develop

    An electronic structure package based on either plane wave basis or numerical atomic orbitals.

    C++

  2. libpaw_interface libpaw_interface Public

    Trying to write an inteface for the libpaw library from ABINIT, which can be transferred more easily to other SCF softwares

    Fortran

  3. deepks-kit deepks-kit Public

    Forked from deepmodeling/deepks-kit

    a package for developing machine learning-based chemically accurate energy and density functional models

    Python

  4. coredens coredens Public

    a simple program to add core electron density defined in edflib.f90 to the valence electron density given in .cube format

    Fortran

  5. deeptb_to_abacus deeptb_to_abacus Public

    Transforms density matrix generated by DeePTB to format readable by ABACUS

    Python

  6. pyODEM pyODEM Public

    Forked from ClementiGroup/pyODEM

    Python implementation for the Observable-driven Design of Effective molecular Models (ODEM).

    Python