# espressomd/espresso

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 @@ -449,7 +449,7 @@ The short ranged part is given by: .. math :: p^\text{Coulomb, P3M, dir}_{(k,l)}= \frac{1}{4\pi \epsilon_0 \epsilon_r} \frac{1}{2V} \sum_{\vec{n}}^* \sum_{i,j=1}^N q_i q_j \left( \frac{ \mathrm{erfc}(\beta |\vec{r}_j-\vec{r}_i+\vec{n}|)}{|\vec{r}_j-\vec{r}_i+\vec{n}|^3} +\frac{2\beta \pi^{-1/2} \exp(-(\beta |\vec{r}_j-\vec{r}_i+\vec{n}|)^2)}{|\vec{r}_j-\vec{r}_i+\vec{n}|^2} \right) (\vec{r}_j-\vec{r}_i+\vec{n})_k (\vec{r}_j-\vec{r}_i+\vec{n})_l, where :math:\beta is the P3M splitting parameter, :math:\vec{n} identifies the periodic images, the asterix denotes that terms with :math:\vec{n}=\vec{0} and i=j are omitted. where :math:\beta is the P3M splitting parameter, :math:\vec{n} identifies the periodic images, the asterisk denotes that terms with :math:\vec{n}=\vec{0} and i=j are omitted. The long ranged (k-space) part is given by: .. math :: p^\text{Coulomb, P3M, rec}_{(k,l)}= \frac{1}{4\pi \epsilon_0 \epsilon_r} \frac{1}{2 \pi V^2} \sum_{\vec{k} \neq \vec{0}} \frac{\exp(-\pi^2 \vec{k}^2/\beta^2)}{\vec{k}^2} |S(\vec{k})|^2 \cdot (\delta_{k,l}-2\frac{1+\pi^2\vec{k}^2/\beta^2}{\vec{k}^2} \vec{k}_k \vec{k}_l),
 @@ -474,10 +474,10 @@ To use the, e.g., ewald solver from SCAFACOS as electrostatics solver for y cutoff to :math:1.5 and tune the other parameters for an accuracy of :math:10^{-3}, use:: from espressomd.electrostatics import Scafacos scafacos = Scafacos(prefactor=1, method_name="ewald", method_params={"ewald_r_cut": 1.5, "tolerance_field": 1e-3}) system.actors.add(scafacos) from espressomd.electrostatics import Scafacos scafacos = Scafacos(prefactor=1, method_name="ewald", method_params={"ewald_r_cut": 1.5, "tolerance_field": 1e-3}) system.actors.add(scafacos) For details of the various methods and their parameters please refer to