Commit a76457ef authored by Stan Gerald Moore (stamoor)'s avatar Stan Gerald Moore (stamoor)
Browse files

Fix bug in ewald_dipole structure factor

parent e6b5112d

src/KSPACE/ewald_dipole.cpp

+2 −2
Original line number Diff line number Diff line
@@ -584,8 +584,8 @@ void EwaldDipole::eik_dot_r() 
          cs[-m][ic][i] = cs[m][ic][i];

          sn[-m][ic][i] = -sn[m][ic][i];

	  muk[n][i] = (mu[i][ic]*m*unitk[ic]);

          cstr1 += muk[n][i]*cs[1][ic][i];

          sstr1 += muk[n][i]*sn[1][ic][i];

          cstr1 += muk[n][i]*cs[m][ic][i];

          sstr1 += muk[n][i]*sn[m][ic][i];

        }

        sfacrl[n] = cstr1;

        sfacim[n++] = sstr1;

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