Home
last modified time | relevance | path

Searched refs:lindep_tol_ (Results 1 – 4 of 4) sorted by relevance

/dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/basis/
H A Dorthog.h52 double lindep_tol_; variable
110 double lindep_tol() const { return lindep_tol_; } in lindep_tol()
H A Dorthog.cc73 si.get(lindep_tol_); in OverlapOrthog()
97 so.put(lindep_tol_); in save_data_state()
121 lindep_tol_ = lindep_tolerance; in reinit()
134 lindep_tol_, in copy()
165 double s_tol = lindep_tol_ * maxabs; in compute_overlap_eig()
348 int nblockorthog = blockorthog->schmidt_orthog_tol(Sblock, lindep_tol_, in compute_gs_orthog()
/dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/wfn/
H A Dwfn.cc175 lindep_tol_ = keyval->doublevalue("lindep_tol", lindep_tol_def); in Wavefunction()
290 s.get(lindep_tol_); in Wavefunction()
293 lindep_tol_ = 1.e-6; in Wavefunction()
366 s.put(lindep_tol_); in save_data_state()
1093 lindep_tol_, in init_orthog()
1130 return lindep_tol_; in lindep_tol()
1136 if (lindep_tol_ != lindep_tol) { in set_lindep_tol()
1137 lindep_tol_ = lindep_tol; in set_lindep_tol()
H A Dwfn.h68 double lindep_tol_; variable