abacusmodeling / abacus-develop

An electronic structure package based on either plane wave basis or numerical atomic orbitals.
GNU Lesser General Public License v3.0
154 stars 154 forks source link

增加输出功能:输出每个原子的磁矩,极角和方位角 #302

Closed liqiuyua closed 5 months ago

liqiuyua commented 5 months ago

Background

可以更好地和deeph联动起来,方便进行磁性材料计算。

Describe the solution you'd like

希望增加功能

Task list only for developers

Notice Possible Changes of Behavior (Reminder only for developers)

No response

Notice any changes of core modules (Reminder only for developers)

No response

Notice Possible Changes of Core Modules (Reminder only for developers)

No response

Additional Context

No response

Task list for Issue attackers (only for developers)

dyzheng commented 5 months ago

Hello, as suggested in https://github.com/abacusmodeling/abacus-develop/issues/274 , migrate this Issue to https://github.com/deepmodeling/abacus-develop/issues/3865