Popular repositories Loading

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