Ewald summation interaction in non-orthogonal cells
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- emarin
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5 years 1 month ago #598
by emarin
The electrostatic energy is calculated in the usual way: real space + reciprocal space + self. The only difference is that the reciprocal lattice vectors are set up along the cell unit vectors. The code for this is in energy_routines.f90 Subroutine Ewald_Reciprocal_Lattice_Vector_Setup.
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