Feature : implementation of PAW#2694

Merged

dyzheng merged 15 commits into

deepmodeling:developfrom

Jul 7, 2023

Commits on Jun 29, 2023

move multiplication by rr to spherical bessel transform
wenfei-li
committed
slight modification
wenfei-li
committed

Commits on Jun 30, 2023

fix unit test
wenfei-li
committed

Commits on Jul 3, 2023

Added spline and splint; some basics of paw_cell
wenfei-li
committed
Merge branch 'develop' of github.com:deepmodeling/abacus-develop into paw
wenfei-li
committed
modify unit test
wenfei-li
committed

Commits on Jul 4, 2023

Add list of projector info to paw_cell
wenfei-li
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fix unit test
wenfei-li
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fix unit test
wenfei-li
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add lmax in paw_element
wenfei-li
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Commits on Jul 5, 2023

Added spherical harmonics
wenfei-li
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added input files for unit test
wenfei-li
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Merge branch 'develop' of github.com:deepmodeling/abacus-develop into paw
wenfei-li
committed

Commits on Jul 6, 2023

Added unit test for set_paw_k
wenfei-li
committed
Merge branch 'develop' of github.com:deepmodeling/abacus-develop into paw
wenfei-li
committed