Package multicharge
Electronegativity equilibration model for atomic partial charges
https://github.com/grimme-lab/multicharge
Version: 0.3.0
General Commands | |
| multicharge | Atomic partial charge model. |
Electronegativity equilibration model for atomic partial charges
https://github.com/grimme-lab/multicharge
Version: 0.3.0
General Commands | |
| multicharge | Atomic partial charge model. |