GFN2-xTB 在线原子电荷与偶极矩
查看 GFN2-xTB 原子电荷与分子偶极矩，复用已有结构计算结果。
Inspect GFN2-xTB atomic charges and the molecular dipole in a selected geometry. Reuse electronic properties transferred from a molecular calculation or calculate them locally. View atom-resolved charges, dipole components, magnitude and the charge-conservation residual.
Method references: GFN2-xTB method · tblite