/dports/science/mpqc/mpqc-2.3.1/src/lib/math/scmat/ |
H A D | local.h | 73 void assign_v(SCVector*); 81 void accumulate(const SCVector*); 83 double scalar_product(SCVector*); 86 SCVector*); 88 SCVector*,SCVector*); 123 SCVector * get_row(int i); 124 SCVector * get_column(int i); 129 void accumulate_outer_product(SCVector*,SCVector*); 140 double solve_this(SCVector*); 187 SCVector * get_row(int i); [all …]
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H A D | repl.h | 71 class ReplSCVector: public SCVector { 85 void assign_v(SCVector*); 93 void accumulate(const SCVector*); 98 SCVector*); 100 SCVector*,SCVector*); 141 SCVector * get_row(int i); 142 SCVector * get_column(int i); 148 void accumulate_outer_product(SCVector*,SCVector*); 159 double solve_this(SCVector*); 217 SCVector * get_row(int i); [all …]
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H A D | blocked.h | 83 void assign_v(SCVector*); 93 void accumulate(const SCVector*); 95 double scalar_product(SCVector*); 99 SCVector*); 101 SCVector*,SCVector*); 144 SCVector * get_row(int i); 145 SCVector * get_column(int i); 151 void accumulate_outer_product(SCVector*,SCVector*); 163 double solve_this(SCVector*); 222 SCVector * get_row(int i); [all …]
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H A D | dist.h | 58 class DistSCVector: public SCVector { 75 void assign_v(SCVector*a); 77 void convert(SCVector *); 88 SCVector*); 90 SCVector*,SCVector*); 139 SCVector * get_row(int i); 140 SCVector * get_column(int i); 146 void accumulate_outer_product(SCVector*,SCVector*); 154 double solve_this(SCVector*); 206 SCVector * get_row(int i); [all …]
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H A D | abstract.h | 47 class SCVector; variable 90 SCVector* restore_vector(StateIn&, 97 class SCVector: public DescribedClass { 113 virtual SCVector* copy(); 115 virtual SCVector* clone(); 117 virtual ~SCVector(); 136 virtual void assign_v(SCVector *v); 141 virtual void convert(SCVector*); 172 SCVector*,SCVector*) = 0; 277 virtual SCVector * get_row(int i) =0; [all …]
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H A D | abstract.cc | 95 SCVector* 958 SCVector::SCVector(const RefSCDimension&a, SCMatrixKit *kit): in SCVector() function in SCVector 964 SCVector::~SCVector() in ~SCVector() 1028 SCVector::convert(SCVector*a) in convert() 1035 SCVector::convert_accumulate(SCVector*a) in convert_accumulate() 1059 SCVector::assign_v(SCVector*a) in assign_v() 1090 SCVector* 1091 SCVector::clone() in clone() 1096 SCVector* 1097 SCVector::copy() in copy() [all …]
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H A D | localvect.cc | 48 SCVector(a,kit) in LocalSCVector() 103 LocalSCVector::accumulate_product_rv(SCMatrix*a,SCVector*b) in accumulate_product_rv() 126 LocalSCVector::accumulate_product_sv(SymmSCMatrix*a,SCVector*b) in accumulate_product_sv() 160 LocalSCVector::accumulate(const SCVector*a) in accumulate() 207 LocalSCVector::assign_v(SCVector*a) in assign_v() 234 LocalSCVector::scalar_product(SCVector*a) in scalar_product() 262 SCVector* m) in element_op() 276 SCVector* m,SCVector* n) in element_op()
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H A D | replvect.cc | 50 SCVector(a,k) in ReplSCVector() 120 ReplSCVector::accumulate_product_rv(SCMatrix*a,SCVector*b) in accumulate_product_rv() 155 ReplSCVector::accumulate_product_sv(SymmSCMatrix*a,SCVector*b) in accumulate_product_sv() 188 ReplSCVector::accumulate(const SCVector*a) in accumulate() 235 ReplSCVector::assign_v(SCVector*a) in assign_v() 262 ReplSCVector::scalar_product(SCVector*a) in scalar_product() 296 SCVector* m) in element_op() 321 SCVector* m,SCVector* n) in element_op()
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H A D | blockedvect.cc | 69 SCVector(a,k), in BlockedSCVector() 93 BlockedSCVector::assign_v(SCVector*a) in assign_v() 162 BlockedSCVector::accumulate_product_rv(SCMatrix*a,SCVector*b) in accumulate_product_rv() 183 BlockedSCVector::accumulate_product_sv(SymmSCMatrix*a,SCVector*b) in accumulate_product_sv() 204 BlockedSCVector::accumulate(const SCVector*a) in accumulate() 243 BlockedSCVector::scalar_product(SCVector*a) in scalar_product() 285 SCVector* m) in element_op() 312 SCVector* m,SCVector* n) in element_op()
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H A D | distvect.cc | 50 SCVector(a,k) in DistSCVector() 159 DistSCVector::accumulate(const SCVector*a) in accumulate() 222 DistSCVector::assign_v(SCVector*a) in assign_v() 276 DistSCVector::scalar_product(SCVector*a) in scalar_product() 322 SCVector* m) in element_op() 343 SCVector* m,SCVector* n) in element_op() 366 DistSCVector::accumulate_product_rv(SCMatrix *pa, SCVector *pb) in accumulate_product_rv() 445 DistSCVector::convert(SCVector *v) in convert() 447 SCVector::convert(v); in convert()
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H A D | localrect.cc | 206 SCVector * 215 SCVector * v = kit()->vector(coldim()); in get_row() 227 LocalSCMatrix::assign_row(SCVector *v, int i) in assign_row() 250 LocalSCMatrix::accumulate_row(SCVector *v, int i) in accumulate_row() 273 SCVector * 283 SCVector * v = kit()->vector(rowdim()); in get_column() 295 LocalSCMatrix::assign_column(SCVector *v, int i) in assign_column() 319 LocalSCMatrix::accumulate_column(SCVector *v, int i) in accumulate_column() 384 LocalSCMatrix::accumulate_outer_product(SCVector*a,SCVector*b) in accumulate_outer_product() 547 LocalSCMatrix::accumulate(const SCVector*a) in accumulate() [all …]
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H A D | blockedrect.cc | 212 SCVector * 222 BlockedSCMatrix::assign_row(SCVector *v, int i) in assign_row() 229 BlockedSCMatrix::accumulate_row(SCVector *v, int i) in accumulate_row() 235 SCVector * 245 BlockedSCMatrix::assign_column(SCVector *v, int i) in assign_column() 252 BlockedSCMatrix::accumulate_column(SCVector *v, int i) in accumulate_column() 262 BlockedSCMatrix::accumulate_outer_product(SCVector*a,SCVector*b) in accumulate_outer_product() 435 BlockedSCMatrix::accumulate(const SCVector*a) in accumulate() 576 BlockedSCMatrix::solve_this(SCVector*v) in solve_this()
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H A D | distrect.cc | 203 SCVector * 211 DistSCMatrix::assign_row(SCVector *v, int i) in assign_row() 217 DistSCMatrix::accumulate_row(SCVector *v, int i) in accumulate_row() 222 SCVector * 241 SCVector * rcol = kit_->vector(rowdim()); in get_column() 250 DistSCMatrix::assign_column(SCVector *v, int i) in assign_column() 256 DistSCMatrix::accumulate_column(SCVector *v, int i) in accumulate_column() 394 DistSCMatrix::accumulate(const SCVector*a) in accumulate() 644 DistSCMatrix::accumulate_outer_product(SCVector*a,SCVector*b) in accumulate_outer_product() 779 DistSCMatrix::solve_this(SCVector*v) in solve_this()
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H A D | replrect.cc | 244 SCVector * 253 SCVector * v = kit()->vector(coldim()); in get_row() 265 ReplSCMatrix::assign_row(SCVector *v, int i) in assign_row() 287 ReplSCMatrix::accumulate_row(SCVector *v, int i) in accumulate_row() 309 SCVector * 318 SCVector * v = kit()->vector(rowdim()); in get_column() 330 ReplSCMatrix::assign_column(SCVector *v, int i) in assign_column() 353 ReplSCMatrix::accumulate_column(SCVector *v, int i) in accumulate_column() 476 ReplSCMatrix::accumulate_outer_product(SCVector*a,SCVector*b) in accumulate_outer_product() 649 ReplSCMatrix::accumulate(const SCVector*a) in accumulate() [all …]
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H A D | localsymm.cc | 263 SCVector * 273 SCVector * v = kit()->vector(dim()); in get_row() 285 LocalSymmSCMatrix::assign_row(SCVector *v, int i) in assign_row() 309 LocalSymmSCMatrix::accumulate_row(SCVector *v, int i) in accumulate_row() 373 LocalSymmSCMatrix::solve_this(SCVector*v) in solve_this() 498 LocalSymmSCMatrix::accumulate_symmetric_outer_product(SCVector*a) in accumulate_symmetric_outer_product() 666 LocalSymmSCMatrix::scalar_product(SCVector*a) in scalar_product()
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H A D | matrix.h | 55 class RefSCVector: public Ref<SCVector> { 64 RefSCVector(SCVector *v); 69 RefSCVector& operator=(SCVector* v); 463 SCVectordouble(SCVector*,int);
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H A D | blockedsymm.cc | 175 SCVector * 185 BlockedSymmSCMatrix::assign_row(SCVector *v, int i) in assign_row() 192 BlockedSymmSCMatrix::accumulate_row(SCVector *v, int i) in accumulate_row() 236 BlockedSymmSCMatrix::solve_this(SCVector*v) in solve_this() 301 BlockedSymmSCMatrix::scalar_product(SCVector*a) in scalar_product() 409 BlockedSymmSCMatrix::accumulate_symmetric_outer_product(SCVector*a) in accumulate_symmetric_outer_product()
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H A D | elemop.h | 54 class SCVector; variable 413 SCVector *m; 415 SCElementAccumulateSCVector(SCVector *);
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H A D | local.cc | 78 SCVector*
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H A D | distsymm.cc | 243 SCVector * 251 DistSymmSCMatrix::assign_row(SCVector *v, int i) in assign_row() 257 DistSymmSCMatrix::accumulate_row(SCVector *v, int i) in accumulate_row() 341 DistSymmSCMatrix::solve_this(SCVector*v) in solve_this()
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H A D | replsymm.cc | 298 SCVector * 307 SCVector * v = kit()->vector(dim()); in get_row() 319 ReplSymmSCMatrix::assign_row(SCVector *v, int i) in assign_row() 342 ReplSymmSCMatrix::accumulate_row(SCVector *v, int i) in accumulate_row() 473 ReplSymmSCMatrix::solve_this(SCVector*v) in solve_this() 644 ReplSymmSCMatrix::accumulate_symmetric_outer_product(SCVector*a) in accumulate_symmetric_outer_product() 930 ReplSymmSCMatrix::scalar_product(SCVector*a) in scalar_product()
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H A D | repl.cc | 79 SCVector*
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H A D | blocked.cc | 116 SCVector*
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H A D | matrix.cc | 1498 Ref<SCVector> (o) in RefSCVector() 1502 RefSCVector::RefSCVector (SCVector * o): in RefSCVector() 1503 Ref<SCVector> (o) in RefSCVector() 1512 RefSCVector::operator=(SCVector* cr) in operator =() 1514 Ref<SCVector>::operator=(cr); in operator =() 1521 Ref<SCVector>::operator=(c); in operator =()
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/dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/ |
H A D | mbptr12.h | 73 Ref<SCVector> epair_0_, epair_1_; // Singlet/triplet pair energies if spin-adapted
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