/dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/wfn/ |
H A D | nao.cc | 125 OL.accumulate_transform(trans, eigval); in mhalf() 155 Pt.accumulate_transform(Nt, P); in ttrace() 158 St.accumulate_transform(Nt, S); in ttrace() 170 Pt.accumulate_transform(Nt, P); in ttrace() 258 PtL.accumulate_transform(OL, Pt); in form_nao() 327 Ptmp->accumulate_transform(S, P); in nao() 407 Pdfg.assign(0.0); Pdfg.accumulate_transform(Tdfg, P); in nao() 410 Sdfg.assign(0.0); Sdfg.accumulate_transform(Tdfg, S); in nao() 792 P.accumulate_transform(N.t(), Pdfg); in nao() 794 S.accumulate_transform(N.t(), Sdfg); in nao() [all …]
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H A D | hcorewfn.cc | 128 hcore_oso->accumulate_transform(so_to_orthog_so(), core_hamiltonian()); in oso_eigenvectors() 212 dens->accumulate_transform(so_to_orthog_so().t() * mo_to_orthog_so(), in density()
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H A D | obwfn.cc | 169 oldP_oso->accumulate_transform(old_so_to_oso, oldP_so); in projected_eigenvectors() 204 newP_oso->accumulate_transform(old_to_new_oso.t(), oldP_oso); in projected_eigenvectors() 385 hcore_oso->accumulate_transform(so_to_orthog_so(), core_hamiltonian()); in hcore_guess()
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H A D | eht.cc | 179 h_oso->accumulate_transform(so_to_orthog_so(),h_so); in h_eht_oso() 270 dens->accumulate_transform(so_to_orthog_so().t() * mo_to_orthog_so(), in density()
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/dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/dft/ |
H A D | hsosks.cc | 151 mofock.accumulate_transform(eigenvectors(), fock(0)+cl_vxc(), in effective_fock() 153 mofocko.accumulate_transform(eigenvectors(), fock(1)+op_vxc(), in effective_fock() 157 mofock.accumulate_transform(so_to_oso_tr * oso_scf_vector_, in effective_fock() 160 mofocko.accumulate_transform(so_to_oso_tr * oso_scf_vector_, in effective_fock() 178 mofock.accumulate_transform(so_to_oso_tr * oso_scf_vector_, in lagrangian() 184 mofocko.accumulate_transform(so_to_oso_tr * oso_scf_vector_, in lagrangian() 197 so_lag.accumulate_transform(so_to_oso_tr * oso_scf_vector_, mofock); in lagrangian()
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H A D | clks.cc | 151 mofock.accumulate_transform(eigenvectors(), fa, in effective_fock() 154 mofock.accumulate_transform(so_to_orthog_so().t() * oso_scf_vector_, fa, in effective_fock()
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/dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/molecule/ |
H A D | redund.cc | 119 bmbt.accumulate_transform(p,hessian); in inverse_hessian() 125 thess.accumulate_transform(p,bmbt); in inverse_hessian()
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/dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/scf/ |
H A D | tcscf.cc | 798 mofocka.accumulate_transform(vec, fock(0), in effective_fock() 800 mofockb.accumulate_transform(vec, fock(1), in effective_fock() 802 moka.accumulate_transform(vec, fock(2), in effective_fock() 804 mokb.accumulate_transform(vec, fock(3), in effective_fock() 902 mofocka.accumulate_transform(vec, focka_.result_noupdate(), in lagrangian() 908 mofockb.accumulate_transform(vec, fockb_.result_noupdate(), in lagrangian() 915 moka.accumulate_transform(vec, kb_.result_noupdate(), in lagrangian() 923 mokb.accumulate_transform(vec, ka_.result_noupdate(), in lagrangian() 946 so_lag.accumulate_transform(vec, mofocka); in lagrangian()
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H A D | ossscf.cc | 691 mofock.accumulate_transform(vec, fock(0), in effective_fock() 693 mofocka.accumulate_transform(vec, fock(1), in effective_fock() 695 mofockb.accumulate_transform(vec, fock(2), in effective_fock() 746 mofock.accumulate_transform(vec, cl_fock_.result_noupdate(), in lagrangian() 751 mofocka.accumulate_transform(vec, op_focka_.result_noupdate(), in lagrangian() 756 mofockb.accumulate_transform(vec, op_fockb_.result_noupdate(), in lagrangian() 774 so_lag.accumulate_transform(vec, mofock); in lagrangian()
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H A D | hsosscf.cc | 678 mofock.accumulate_transform(eigenvectors(), fock(0), in effective_fock() 680 mofocko.accumulate_transform(eigenvectors(), fock(1), in effective_fock() 684 mofock.accumulate_transform(so_to_oso_tr * oso_scf_vector_, fock(0), in effective_fock() 686 mofocko.accumulate_transform(so_to_oso_tr * oso_scf_vector_, fock(1), in effective_fock() 731 mofock.accumulate_transform(so_to_oso_tr * oso_scf_vector_, in lagrangian() 737 mofocko.accumulate_transform(so_to_oso_tr * oso_scf_vector_, in lagrangian() 750 so_lag.accumulate_transform(so_to_oso_tr * oso_scf_vector_, mofock); in lagrangian()
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H A D | uscf.cc | 905 moa.accumulate_transform(so_to_ortho_so_tr * oso_scf_vector_, in extrap_error() 915 mob.accumulate_transform(so_to_ortho_so_tr * oso_scf_vector_beta_, in extrap_error() 924 aoa.accumulate_transform(so_to_ortho_so_tr * oso_scf_vector_, moa); in extrap_error() 929 aob.accumulate_transform(so_to_ortho_so_tr * oso_scf_vector_beta_,mob); in extrap_error() 1020 moa.accumulate_transform(so_to_oso_tr * oso_scf_vector_, in compute_vector() 1026 mob.accumulate_transform(so_to_oso_tr * oso_scf_vector_beta_, in compute_vector() 1042 osoa.accumulate_transform(oso_scf_vector_,moa); in compute_vector() 1049 osob.accumulate_transform(oso_scf_vector_beta_,mob); in compute_vector() 1179 la.accumulate_transform(so_to_oso_tr * oso_scf_vector_, ea); in lagrangian() 1183 lb.accumulate_transform(so_to_oso_tr * oso_scf_vector_beta_, eb); in lagrangian()
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H A D | clscf.cc | 493 mofock.accumulate_transform(eigenvectors(), fock(0), in effective_fock() 496 mofock.accumulate_transform(so_to_orthog_so().t() * oso_scf_vector_, in effective_fock() 556 so_lag.accumulate_transform(so_to_orthog_so().t() * oso_scf_vector_, mofock); in lagrangian()
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/dports/science/mpqc/mpqc-2.3.1/src/lib/math/scmat/ |
H A D | local.h | 204 void accumulate_transform(SCMatrix*,SymmSCMatrix*, 206 void accumulate_transform(SCMatrix*,DiagSCMatrix*, 208 void accumulate_transform(SymmSCMatrix*,SymmSCMatrix*);
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H A D | blockedsymm.cc | 429 BlockedSymmSCMatrix::accumulate_transform(SCMatrix*a,SymmSCMatrix*b, in accumulate_transform() function in BlockedSymmSCMatrix 473 mats_[mi]->accumulate_transform(la->mats_[i].pointer(), in accumulate_transform() 480 BlockedSymmSCMatrix::accumulate_transform(SCMatrix*a,DiagSCMatrix*b, in accumulate_transform() function in BlockedSymmSCMatrix 510 mats_[mi]->accumulate_transform(la->mats_[i].pointer(), in accumulate_transform() 516 BlockedSymmSCMatrix::accumulate_transform(SymmSCMatrix*a,SymmSCMatrix*b) in accumulate_transform() function in BlockedSymmSCMatrix 518 SymmSCMatrix::accumulate_transform(a,b); in accumulate_transform()
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H A D | repl.h | 234 void accumulate_transform(SCMatrix*,SymmSCMatrix*, 236 void accumulate_transform(SCMatrix*,DiagSCMatrix*, 238 void accumulate_transform(SymmSCMatrix*,SymmSCMatrix*);
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H A D | blocked.h | 239 void accumulate_transform(SCMatrix*,SymmSCMatrix*, 241 void accumulate_transform(SCMatrix*,DiagSCMatrix*, 243 void accumulate_transform(SymmSCMatrix*,SymmSCMatrix*);
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H A D | matrix.h | 318 void accumulate_transform(const RefSCMatrix&a,const RefSymmSCMatrix&b, 320 void accumulate_transform(const RefSCMatrix&a,const RefDiagSCMatrix&b, 322 void accumulate_transform(const RefSymmSCMatrix&a,
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H A D | replsymm.cc | 441 accumulate_transform(refb.pointer(), refa.pointer()); in invert_this() 508 accumulate_transform(levecs, levals); in gen_invert_this() 669 ReplSymmSCMatrix::accumulate_transform(SCMatrix*a,SymmSCMatrix*b, in accumulate_transform() function in ReplSymmSCMatrix 903 ReplSymmSCMatrix::accumulate_transform(SCMatrix*a,DiagSCMatrix*b, in accumulate_transform() function in ReplSymmSCMatrix 924 ReplSymmSCMatrix::accumulate_transform(SymmSCMatrix*a,SymmSCMatrix*b) in accumulate_transform() function in ReplSymmSCMatrix 926 SymmSCMatrix::accumulate_transform(a,b); in accumulate_transform()
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H A D | localsymm.cc | 524 LocalSymmSCMatrix::accumulate_transform(SCMatrix*a,SymmSCMatrix*b, in accumulate_transform() function in LocalSymmSCMatrix 638 LocalSymmSCMatrix::accumulate_transform(SCMatrix*a,DiagSCMatrix*b, in accumulate_transform() function in LocalSymmSCMatrix 660 LocalSymmSCMatrix::accumulate_transform(SymmSCMatrix*a,SymmSCMatrix*b) in accumulate_transform() function in LocalSymmSCMatrix 662 SymmSCMatrix::accumulate_transform(a,b); in accumulate_transform()
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H A D | abstract.h | 457 virtual void accumulate_transform(SCMatrix*,SymmSCMatrix*, 459 virtual void accumulate_transform(SCMatrix*,DiagSCMatrix*, 461 virtual void accumulate_transform(SymmSCMatrix*,SymmSCMatrix*);
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/dports/science/mpqc/mpqc-2.3.1/src/lib/math/optimize/ |
H A D | transform.cc | 59 newh->accumulate_transform(linear_transform_.pointer(), h.pointer()); in transform_hessian()
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H A D | scextest.cc | 75 newdatamat.accumulate_transform(vec, val); in main()
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/dports/security/libkleo/libkleo-21.12.3/src/kleo/ |
H A D | stl_util.h | 136 Value accumulate_transform(InputIterator first, InputIterator last, UnaryFunction map, const Value … 147 Value accumulate_transform(InputIterator first, InputIterator last, UnaryFunction map, const Value … in accumulate_transform() function 159 return accumulate_transform(make_filter_iterator(filter, first, last), in accumulate_transform_if()
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/dports/security/kleopatra/kleopatra-21.12.3/src/crypto/gui/ |
H A D | resultlistwidget.cpp | 162 return kdtools::accumulate_transform(d->m_collections.cbegin(), in totalNumberOfTasks() 169 return kdtools::accumulate_transform(d->m_collections.cbegin(), d->m_collections.cend(), in numberOfCompletedTasks()
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/dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbpt/ |
H A D | mbpt.cc | 420 fock_c_mo1.accumulate_transform(vecs_so_mo1.t(), fock_c_so); in eigen() 421 fock_o_mo1.accumulate_transform(vecs_so_mo1.t(), fock_o_so); in eigen() 491 fock_c_mo1.accumulate_transform(vecs_so_mo1.t(), fock_c_so); in eigen()
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