Coulomb Truncation Schemes
Available truncation schemes for coulomb interactions
| Keyword | Parameters | Description |
|---|---|---|
None |
– | No truncation scheme |
Shifted |
– | The charge interaction is shifted such that, at $r = r_{max}$, the contribution to the energy and force is zero $$ E^{shifted}{q_iq_j} = q_i q_j \left( \frac{1}{r} + \frac{r}{r^2{max}} - \frac{2}{r_{max}} \right) $$ $$ F^{shifted}{q_iq_j} = q_i q_j \left( \frac{1}{r^2} - \frac{1}{r^2{max}} \right) $$ |
Last modified April 23, 2024: Update release notes. (70ff745)