======PURPOSE OF NW2DY===== NW2DY uses the output of a modified nwchem-installation to create the input for an other programme. The usage of NW2Dy requires a changed NWChem-version having more detailed output. The changes can be done using the following patches: =======PATCHES======= movecs.patch --> print all coefficients for molecular orbitals that are >0 tddft.patch --> print all CI coefficients with required accuracy. Print1e.patch -> to print overlap matrix more detailed. ==== RESTRICTIONS ===== works only for systems with singlet initial states.