#include #include #include #include #include #include void get_1rdm(PetscScalar *, PetscInt *, PetscInt *, int *, PetscReal *, const int natomax); void get_2rdm(PetscScalar *valxr, PetscInt *Istart, PetscInt *Iend, int *natom, PetscReal *trace2rdm, double densmat2[*natom][*natom][*natom][*natom], const int natomax);