| /dports/science/mpqc/mpqc-2.3.1/src/lib/math/scmat/ |
| H A D | repl.cc | 53 SCMatrixKit(keyval) in ReplSCMatrixKit()
116 static Ref<SCMatrixKit> defaultmatrixkit;
118 SCMatrixKit*
119 SCMatrixKit::default_matrixkit() in default_matrixkit()
126 SCMatrixKit::set_default_matrixkit(const Ref<SCMatrixKit> &k) in set_default_matrixkit()
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| H A D | abstract.h | 58 class SCMatrixKit: public DescribedClass {
63 SCMatrixKit();
64 SCMatrixKit(const Ref<KeyVal>&);
65 ~SCMatrixKit();
70 static SCMatrixKit* default_matrixkit();
100 Ref<SCMatrixKit> kit_;
109 Ref<SCMatrixKit> kit() const { return kit_; } in kit()
198 Ref<SCMatrixKit> kit_;
212 Ref<SCMatrixKit> kit() const { return kit_; } in kit()
367 Ref<SCMatrixKit> kit_;
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| H A D | blocked.h | 48 class BlockedSCMatrixKit: public SCMatrixKit {
50 Ref<SCMatrixKit> subkit_;
52 BlockedSCMatrixKit(const Ref<SCMatrixKit>& subkit);
60 Ref<SCMatrixKit> subkit() { return subkit_; } in subkit()
69 Ref<SCMatrixKit> subkit;
120 Ref<SCMatrixKit> subkit;
196 Ref<SCMatrixKit> subkit;
271 Ref<SCMatrixKit> subkit;
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| H A D | matrix.h | 77 RefSCVector(const RefSCDimension& dim,const Ref<SCMatrixKit>&);
99 Ref<SCMatrixKit> kit() const;
156 const Ref<SCMatrixKit>&);
221 Ref<SCMatrixKit> kit() const;
281 RefSymmSCMatrix(const RefSCDimension& d,const Ref<SCMatrixKit>&);
343 Ref<SCMatrixKit> kit() const;
400 RefDiagSCMatrix(const RefSCDimension&,const Ref<SCMatrixKit>&);
433 Ref<SCMatrixKit> kit() const;
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| H A D | abstract.cc | 51 typeid(SCMatrixKit),"SCMatrixKit",1,"public DescribedClass",
54 SCMatrixKit::SCMatrixKit() in SCMatrixKit() function in SCMatrixKit
59 SCMatrixKit::SCMatrixKit(const Ref<KeyVal>& keyval) in SCMatrixKit() function in SCMatrixKit
65 SCMatrixKit::~SCMatrixKit() in ~SCMatrixKit()
70 SCMatrixKit::restore_matrix(StateIn& s, in restore_matrix()
80 SCMatrixKit::restore_symmmatrix(StateIn& s, const RefSCDimension& d) in restore_symmmatrix()
88 SCMatrixKit::restore_diagmatrix(StateIn& s, const RefSCDimension& d) in restore_diagmatrix()
96 SCMatrixKit::restore_vector(StateIn& s, const RefSCDimension& d) in restore_vector()
104 SCMatrixKit::messagegrp() const in messagegrp()
117 SCMatrixKit*kit): in SCMatrix()
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| H A D | repltest.cc | 37 void matrixtest(Ref<SCMatrixKit> kit, Ref<KeyVal> keyval,
69 Ref<SCMatrixKit> kit = new ReplSCMatrixKit; in main()
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| H A D | disttest.cc | 41 void matrixtest(Ref<SCMatrixKit> kit, Ref<KeyVal> keyval,
88 Ref<SCMatrixKit> kit = new DistSCMatrixKit; in main()
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| H A D | blockedtest.cc | 34 void matrixtest(Ref<SCMatrixKit>, Ref<KeyVal>,
59 Ref<SCMatrixKit> subkit = new LocalSCMatrixKit; in main()
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| H A D | blocked.cc | 50 BlockedSCMatrixKit::BlockedSCMatrixKit(const Ref<SCMatrixKit>&subkit): in BlockedSCMatrixKit()
56 SCMatrixKit(keyval) in BlockedSCMatrixKit()
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| H A D | localtest.cc | 35 void matrixtest(Ref<SCMatrixKit> kit, Ref<KeyVal> keyval,
66 Ref<SCMatrixKit> kit = new LocalSCMatrixKit; in main()
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| /dports/science/mpqc/mpqc-2.3.1/src/lib/math/optimize/ |
| H A D | scextrapmat.cc | 42 Ref<SCMatrixKit> k = SCMatrixKit::default_matrixkit(); in SymmSCMatrixSCExtrapData()
50 k = new BlockedSCMatrixKit(SCMatrixKit::default_matrixkit()); in SymmSCMatrixSCExtrapData()
107 Ref<SCMatrixKit> k = SCMatrixKit::default_matrixkit(); in SymmSCMatrix2SCExtrapData()
115 k = new BlockedSCMatrixKit(SCMatrixKit::default_matrixkit()); in SymmSCMatrix2SCExtrapData()
184 Ref<SCMatrixKit> k = SCMatrixKit::default_matrixkit(); in SymmSCMatrix4SCExtrapData()
192 k = new BlockedSCMatrixKit(SCMatrixKit::default_matrixkit()); in SymmSCMatrix4SCExtrapData()
284 Ref<SCMatrixKit> k = SCMatrixKit::default_matrixkit(); in SymmSCMatrixNSCExtrapData()
292 k = new BlockedSCMatrixKit(SCMatrixKit::default_matrixkit()); in SymmSCMatrixNSCExtrapData()
370 Ref<SCMatrixKit> k = SCMatrixKit::default_matrixkit(); in SymmSCMatrixSCExtrapError()
378 k = new BlockedSCMatrixKit(SCMatrixKit::default_matrixkit()); in SymmSCMatrixSCExtrapError()
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| H A D | function.h | 50 Ref<SCMatrixKit> matrixkit_; ///< Used to construct new matrices.
69 virtual void set_matrixkit(const Ref<SCMatrixKit>&);
116 Ref<SCMatrixKit> matrixkit() const;
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| H A D | function.cc | 58 matrixkit_ = SCMatrixKit::default_matrixkit(); in Function()
82 if (matrixkit_.null()) matrixkit_ = SCMatrixKit::default_matrixkit(); in Function()
108 matrixkit_ = SCMatrixKit::default_matrixkit(); in Function()
150 Ref<SCMatrixKit>
353 Function::set_matrixkit(const Ref<SCMatrixKit>& kit) in set_matrixkit()
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| H A D | dfp.cc | 52 Ref<SCMatrixKit> k = SCMatrixKit::default_matrixkit(); in DFPUpdate()
67 Ref<SCMatrixKit> k = SCMatrixKit::default_matrixkit(); in DFPUpdate()
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| H A D | powell.cc | 57 Ref<SCMatrixKit> k = SCMatrixKit::default_matrixkit(); in PowellUpdate()
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| /dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/molecule/ |
| H A D | molfreq.h | 59 Ref<SCMatrixKit> kit_;
60 Ref<SCMatrixKit> symkit_;
134 Ref<SCMatrixKit> matrixkit() { return kit_; } in matrixkit()
135 Ref<SCMatrixKit> symmatrixkit() { return symkit_; } in symmatrixkit()
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| H A D | hess.h | 51 Ref<SCMatrixKit> matrixkit_;
69 Ref<SCMatrixKit> matrixkit() const { return matrixkit_; } in matrixkit()
86 Ref<SCMatrixKit> kit = 0);
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| H A D | hess.cc | 55 matrixkit_ = SCMatrixKit::default_matrixkit(); in MolecularHessian()
61 matrixkit_ = SCMatrixKit::default_matrixkit(); in MolecularHessian()
69 matrixkit_ = SCMatrixKit::default_matrixkit(); in MolecularHessian()
93 Ref<SCMatrixKit> kit) in cartesian_to_symmetry()
98 if (kit.null()) kit = SCMatrixKit::default_matrixkit(); in cartesian_to_symmetry()
269 Ref<SCMatrixKit> symkit = new BlockedSCMatrixKit(kit); in cartesian_to_symmetry()
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| H A D | moltest.cc | 210 Ref<SCMatrixKit> kit = SCMatrixKit::default_matrixkit(); in main()
275 Ref<SCMatrixKit> kit = SCMatrixKit::default_matrixkit(); in main()
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| /dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/basis/ |
| H A D | gaussbas.h | 158 Ref<SCMatrixKit> matrixkit_;
159 Ref<SCMatrixKit> so_matrixkit_;
176 const Ref<SCMatrixKit>& matrixkit,
207 virtual void set_matrixkit(const Ref<SCMatrixKit>&);
408 Ref<SCMatrixKit> matrixkit() { return matrixkit_; } in matrixkit()
410 Ref<SCMatrixKit> so_matrixkit() { return so_matrixkit_; } in so_matrixkit()
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| H A D | orthog.h | 80 Ref<SCMatrixKit> result_kit_; // this kit is used for the result matrices
85 const Ref<SCMatrixKit> &result_kit,
97 const Ref<SCMatrixKit> &result_kit,
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| /dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/solvent/ |
| H A D | bem.h | 51 Ref<SCMatrixKit> matrixkit_;
151 Ref<SCMatrixKit> matrixkit() { return matrixkit_; } in matrixkit()
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| /dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/cca/ |
| H A D | MPQC_ChemistryOpt_CoordinateModel_Impl.hh | 133 sc::Ref<sc::SCMatrixKit> kit_;
134 sc::Ref<sc::SCMatrixKit> rkit_;
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| /dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/scf/ |
| H A D | scftest.cc | 103 Ref<SCMatrixKit> kit; kit << rpkv->describedclassvalue("matrixkit"); in main()
104 SCMatrixKit::set_default_matrixkit(kit); in main()
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| /dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/ |
| H A D | ri_basis.cc | 236 Ref<SCMatrixKit> matrixkit = bs->matrixkit(); in orthogonalize()
251 Ref<SCMatrixKit> so_matrixkit = bs->so_matrixkit(); in orthogonalize()
302 Ref<SCMatrixKit> ao_matrixkit = space1->basis()->matrixkit(); in orthog_comp()
303 Ref<SCMatrixKit> so_matrixkit = space1->basis()->so_matrixkit(); in orthog_comp()
456 Ref<SCMatrixKit> ao_matrixkit = space1->basis()->matrixkit(); in gen_project()
457 Ref<SCMatrixKit> so_matrixkit = space1->basis()->so_matrixkit(); in gen_project()
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