5 #ifndef _chemistry_qc_psi_file11_h
6 #define _chemistry_qc_psi_file11_h
12 #include<util/ref/ref.h>
13 #include<chemistry/molecule/molecule.h>
14 #include<chemistry/qc/basis/basis.h>
31 void skip_lines(
int n);
42 int get_natom(
int entry);
43 double get_energy(
int entry);
44 double get_coord(
int entry,
int atom,
int xyz);
45 double get_grad(
int entry,
int atom,
int xyz);
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