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Searched refs:thresh_overlap_ (Results 1 – 11 of 11) sorted by relevance

/dports/science/bagel/bagel-1.2.2/src/scf/
H A Dscf_base.h52 double thresh_overlap_; variable
90 & thresh_overlap_ & thresh_scf_ & multipole_print_ & dma_print_ & schwarz_ & eig_ & energy_ in serialize()
112 double thresh_overlap() const { return thresh_overlap_; } in thresh_overlap()
H A Dscf_base.cc60 thresh_overlap_ = idata_->get<double>("thresh_overlap", 1.0e-8); in SCF_base_()
80 tildex_ = overlap_->tildex(thresh_overlap_); in SCF_base_()
/dports/science/bagel/bagel-1.2.2/src/multi/zcasscf/
H A Dzcasscf.h56 double thresh_overlap_; variable
121 double thresh_overlap() const { return thresh_overlap_; } in thresh_overlap()
H A Dzcasscf.cc119 thresh_overlap_ = idata_->get<double>("thresh_overlap", 1.0e-8); in init()
233 t12 = t12->tildex(thresh_overlap_); in nonrel_to_relcoeff()
237 shalf = shalf->tildex(thresh_overlap_); in nonrel_to_relcoeff()
H A Dzcassecond.cc85 auto s12 = overlap_->tildex(thresh_overlap_); in init_coeff()
100 shared_ptr<const ZMatrix> tildex = overlap_->tildex(thresh_overlap_); in init_coeff()
166 auto s12 = overlap_->tildex(thresh_overlap_); in init_coeff()
/dports/science/bagel/bagel-1.2.2/src/multi/casscf/
H A Dcasscf.h84 double thresh_overlap_; variable
144 double thresh_overlap() const { return thresh_overlap_; } in thresh_overlap()
H A Dcasscf.cc75 thresh_overlap_ = idata_->get<double>("thresh_overlap", 1.0e-8); in common_init()
81 shared_ptr<const Matrix> tildex = ovl.tildex(thresh_overlap_); in common_init()
/dports/science/bagel/bagel-1.2.2/src/smith/
H A Dsmith_info.h66 double thresh_overlap_; variable
83 ar & thresh_overlap_ & state_begin_ & restart_iter_ & aniso_data_ & external_rdm_; in serialize()
125 double thresh_overlap() const { return thresh_overlap_; } in thresh_overlap()
H A Dsmith_info.cc94 thresh_overlap_ = idata->get<double>("thresh_overlap", 1.0e-9); in SMITH_Info()
122 restart_each_iter_(info->restart_each_iter_), thresh_overlap_(info->thresh_overlap_), in SMITH_Info()
/dports/science/bagel/bagel-1.2.2/src/scf/dhf/
H A Ddirac.h40 double thresh_overlap_; variable
H A Ddirac.cc74 thresh_overlap_ = idata_->get<double>("thresh_overlap", 1.0e-8); in common_init()
99 s12_ = overlap_->tildex(thresh_overlap_); in common_init()