29 #ifndef _chemistry_qc_basis_orthog_h
30 #define _chemistry_qc_basis_orthog_h
32 #include <util/state/state.h>
33 #include <math/scmat/matrix.h>
65 double min_orthog_res_;
66 double max_orthog_res_;
68 void compute_overlap_eig(
RefSCMatrix& overlap_eigvec,
71 void compute_symmetric_orthog();
72 void compute_canonical_orthog();
73 void compute_gs_orthog();
74 void compute_orthog_trans();
86 double lindep_tolerance,
98 double lindep_tolerance,
101 double min_orthog_res()
const {
return min_orthog_res_; }
102 double max_orthog_res()
const {
return max_orthog_res_; }
104 Ref<OverlapOrthog> copy()
const;