deepmodeling / abacus-develop

An electronic structure package based on either plane wave basis or numerical atomic orbitals.
http://abacus.ustc.edu.cn
GNU Lesser General Public License v3.0
174 stars 136 forks source link

Fix: support lmax of orbital 8,9 #5528

Closed QuantumMisaka closed 5 days ago

QuantumMisaka commented 6 days ago

Reminder

Linked Issue

Supplement for #5507

Unit Tests and/or Case Tests for my changes

What's changed?

Any changes of core modules? (ignore if not applicable)

kirk0830 commented 5 days ago

there is a PR by me needed to merge to @QuantumMisaka's lmax9 branch, please wait till my PR is merged

kirk0830 commented 5 days ago

this PR is mainly completed by @QuantumMisaka, I add minor throw information suggested by @hebrewsnabla. Thanks for all your contribution!