| /dports/science/bagel/bagel-1.2.2/src/df/ |
| H A D | dfblock.cc | 197 assert(nclosed+nact == b1size() && b1size() == b2size()); in apply_2RDM()
273 assert(nclosed+nact == b1size() && b1size() == b2size()); in apply_2RDM_tr()
361 if (b1size() == o->b1size()) { in form_2index()
366 target = make_shared<Matrix>(b1size(),o->b1size()); in form_2index()
376 auto target = make_shared<Matrix>(b1size()*b2size(), o->b1size()*o->b2size()); in form_4index()
385 auto target = make_shared<Matrix>(b2size()*b1size(), o->b1size()); in form_4index_1fixed()
386 …("T", "N", b1size()*b2size(), o->b1size(), asize(), a, data(), asize(), o->data()+n*asize()*o->b1s… in form_4index_1fixed()
402 auto target = make_shared<Matrix>(b1size()*b1size(), b2size()); in form_4index_diagonal_part()
406 …target->element(k+b1size()*j, i) = blas::dot_product(data()+asize()*(k+b1size()*i), asize(), data(… in form_4index_diagonal_part()
606 …emplace_back(recvbuf.get()+arecvsize*b1size()*b2, arecvsize, data()+asize()*b1size()*b2, asize(), … in average()
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| H A D | complexdfinttask.h | 58 assert(dfblocks_[i2]->b1size() == dfblocks_[i2]->b2size()); in compute()
60 assert(dfblocks_[i2]->b1size() == dfblocks_[i2+1]->b1size()); in compute()
62 const size_t nbin = dfblocks_[i2]->b1size(); in compute()
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| H A D | complexdf.h | 78 const size_t asize, const size_t b1size, const size_t b2size, in compute_3index() argument
135 …const size_t b1size = std::accumulate(b1shell.begin(), b1shell.end(), 0, [](const int& i, const st… in ComplexDFDist() local
139 …block_.push_back(std::make_shared<DFBlock>(adist_shell, adist_averaged, asize, b1size, b2size, ast… in ComplexDFDist()
143 compute_3index(myashell, b1shell, b2shell, asize, b1size, b2size, astart, thr, inverse); in ComplexDFDist()
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| H A D | dfinttask.h | 55 assert(dfblocks_[i]->b1size() == dfblocks_[i]->b2size()); in compute()
56 const size_t nbin = dfblocks_[i]->b1size(); in compute()
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| H A D | df.h | 92 const size_t asize, const size_t b1size, const size_t b2size, in compute_3index() argument
147 …const size_t b1size = std::accumulate(b1shell.begin(), b1shell.end(), 0, [](const int& i, const st… in DFDist() local
150 …block_.push_back(std::make_shared<DFBlock>(adist_shell, adist_averaged, asize, b1size, b2size, ast… in DFDist()
153 compute_3index(myashell, b1shell, b2shell, asize, b1size, b2size, astart, thr, inverse); in DFDist()
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| H A D | dfblock.h | 75 size_t b1size() const { return this->extent(1); } in b1size() function
78 size_t size() const { return asize()*b1size()*b2size(); } in size()
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| /dports/science/bagel/bagel-1.2.2/src/scf/ |
| H A D | slater2e.cc | 102 const int b1size = b1->nbasis();
152 assert((int)eribatch.data_size() == b0size * b1size * b2size * b3size);
157 for (int z1 = 0; z1 != b1size; ++z1) {
178 for (int z1 = 0; z1 != b1size; ++z1) {
196 for (int j1 = b1offset; j1 != b1offset + b1size; ++j1) {
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| /dports/science/bagel/bagel-1.2.2/src/scf/giaohf/ |
| H A D | fock_london.cc | 85 const int b1size = b1->nbasis(); in fock_two_electron_part() local
108 if ((b0offset + b0size + b1offset + b1size) < (b2offset + b3offset)) continue; in fock_two_electron_part()
125 for (int j1 = b1offset; j1 != b1offset + b1size; ++j1) { in fock_two_electron_part()
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| /dports/science/bagel/bagel-1.2.2/src/scf/fmm/ |
| H A D | box.cc | 438 const int b1size = b1->nbasis(); in compute_Fock_nf() local
478 …[this, &out, &density, input, b0offset, i01, i23, b0size, b1offset, b1size, b2offset, b2size, b3of… in compute_Fock_nf()
488 for (int j1 = b1offset; j1 != b1offset + b1size; ++j1) { in compute_Fock_nf()
657 const int b1size = b1->nbasis(); in compute_exact_ff() local
674 …[this, &jff, &density, input, b0offset, b0size, b1offset, b1size, b2offset, b2size, b3offset, b3si… in compute_exact_ff()
683 for (int j1 = b1offset; j1 != b1offset + b1size; ++j1) { in compute_exact_ff()
902 const int b1size = b1->nbasis(); in compute_Fock_nf_J() local
936 …[this, &out, &density, input, b0offset, i01, i23, b0size, b1offset, b1size, b2offset, b2size, b3of… in compute_Fock_nf_J()
946 for (int j1 = b1offset; j1 != b1offset + b1size; ++j1) { in compute_Fock_nf_J()
1045 const int b1size = b1->nbasis(); in compute_Fock_nf_K() local
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| /dports/math/spectra/spectra-1.0.0/include/Spectra/LinAlg/ |
| H A D | BKLDLT.h | 467 const Index b1size = m_n - i - 1; in solve_inplace() local
468 const Index b2size = b1size - 1; in solve_inplace()
471 MapConstVec l(&coeff(i + 1, i), b1size); in solve_inplace()
472 res.segment(i + 1, b1size).noalias() -= l * x[i]; in solve_inplace()
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| /dports/science/bagel/bagel-1.2.2/src/scf/hf/ |
| H A D | fock.cc | 87 const int b1size = b1->nbasis(); in fock_two_electron_part() local
131 for (int j1 = b1offset; j1 != b1offset + b1size; ++j1) { in fock_two_electron_part()
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| /dports/x11/xscreensaver/xscreensaver-5.44/hacks/ |
| H A D | bubbles.c | 809 int b1size, b2size; in merge_bubbles() local
811 b1size = b1->area; in merge_bubbles()
827 if (b1size > b2size) { in merge_bubbles()
838 } else if (b1size < b2size) { in merge_bubbles()
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