/dports/science/py-pyscf/pyscf-2.0.1/pyscf/fci/test/ |
H A D | test_direct_nosym.py | 29 h2e = numpy.random.random((norb,norb,norb,norb)) variable 30 h2e = h2e + h2e.transpose(2,3,0,1) variable 35 global h1e, h2e 36 del h1e, h2e 45 ci1ref = fci_slow.contract_2e(h2e, ci0, norb, nelec) 46 ci1 = fci.direct_nosym.contract_2e(h2e, ci0, norb, nelec) 50 href = fci_slow.absorb_h1e(h1e, h2e, norb, nelec) 51 h1 = fci.direct_nosym.absorb_h1e(h1e, h2e, norb, nelec) 56 eri = .5* ao2mo.restore(1, ao2mo.restore(8, h2e, norb), norb)
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/dports/science/py-pyscf/pyscf-2.0.1/pyscf/mrpt/ |
H A D | nevpt2.py | 58 eri = h2e.transpose(0,2,1,3) 106 eri = h2e.transpose(0,2,1,3) 148 def make_a17(h1e,h2e,dm2,dm3): 155 def make_a19(h1e,h2e,dm1,dm2): 162 def make_a23(h1e,h2e,dm1,dm2,dm3): 170 def make_a25(h1e,h2e,dm1,dm2): 211 def make_a3(h1e,h2e,dm1,dm2,hdm1): 218 def make_k27(h1e,h2e,dm1,dm2): 226 def make_a7(h1e,h2e,dm1,dm2,dm3): 257 def make_a12(h1e,h2e,dm1,dm2,dm3): [all …]
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/dports/www/varnish6/varnish-cache-varnish-6.6.2/bin/varnishd/http2/ |
H A D | cache_http2_proto.c | 199 AN(h2e); in h2_kill_req() 209 r2->error = h2e; in h2_kill_req() 553 h2_error h2e; in h2_end_headers() local 566 return (h2e); in h2_end_headers() 624 h2_error h2e; in v_matchproto_() local 698 return (h2e); in v_matchproto_() 715 h2_error h2e; in v_matchproto_() local 733 return (h2e); in v_matchproto_() 950 h2_error h2e; in h2_procframe() local 982 if (h2e == 0) in h2_procframe() [all …]
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H A D | cache_http2_send.c | 398 uint32_t stream, h2_error h2e) in H2_Send_RST() argument 407 VSLb(h2->vsl, SLT_Debug, "H2: stream %u: %s", stream, h2e->txt); in H2_Send_RST() 409 vbe32enc(b, h2e->val); in H2_Send_RST()
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/dports/science/py-pyscf/pyscf-2.0.1/pyscf/fci/ |
H A D | direct_nosym.py | 121 h2e = ao2mo.restore(1, eri.copy(), norb) 122 f1e = h1e - numpy.einsum('jiik->jk', h2e) * .5 125 h2e[k,k,:,:] += f1e 126 h2e[:,:,k,k] += f1e 127 return h2e * fac 132 h2e = absorb_h1e(h1e, eri, norb, nelec, .5) 133 ci1 = contract_2e(h2e, fcivec, norb, nelec, link_index)
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H A D | fci_slow.py | 134 h2e = ao2mo.restore(1, eri.copy(), norb) 135 f1e = h1e - numpy.einsum('jiik->jk', h2e) * .5 138 h2e[k,k,:,:] += f1e 139 h2e[:,:,k,k] += f1e 140 return h2e * fac 166 h2e = absorb_h1e(h1e, eri, norb, nelec, .5) 173 hc = contract_2e(h2e, c, norb, nelec)
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H A D | direct_spin1.py | 181 h2e = ao2mo.restore(1, eri.copy(), norb) 182 f1e = h1e - numpy.einsum('jiik->jk', h2e) * .5 185 h2e[k,k,:,:] += f1e 186 h2e[:,:,k,k] += f1e 187 return ao2mo.restore(4, h2e, norb) * fac 280 h2e = absorb_h1e(h1e, eri, norb, nelec, .5) 281 ci1 = contract_2e(h2e, fcivec, norb, nelec, link_index) 513 h2e = fci.absorb_h1e(h1e, eri, norb, nelec, .5) 515 hc = fci.contract_2e(h2e, c, norb, nelec, (link_indexa,link_indexb)) 787 h2e = self.absorb_h1e(h1e, eri, norb, nelec, .5) [all …]
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H A D | direct_spin0.py | 182 h2e = direct_spin1.absorb_h1e(h1e, eri, norb, nelec, .5) 183 ci1 = contract_2e(h2e, fcivec, norb, nelec, link_index) 290 h2e = fci.absorb_h1e(h1e, eri, norb, nelec, .5) 292 hc = fci.contract_2e(h2e, c.reshape(na,na), norb, nelec, link_index) 373 h2e = self.absorb_h1e(h1e, eri, norb, nelec, .5) 374 ci1 = self.contract_2e(h2e, fcivec, norb, nelec, link_index)
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H A D | selected_ci.py | 331 h2e = direct_spin1.absorb_h1e(h1e, eri, norb, nelec, .5) 332 h2e = ao2mo.restore(1, h2e, norb) 346 hc = myci.contract_2e(h2e, _as_SCIvector(c, ci_strs), norb, nelec, link_index) 375 h2e = direct_spin1.absorb_h1e(h1e, eri, norb, nelec, .5) 376 h2e = ao2mo.restore(1, h2e, norb) 388 ci0 = myci.enlarge_space(ci0, h2e, norb, nelec) 399 ci0 = myci.enlarge_space(ci0, h2e, norb, nelec) 407 hc = myci.contract_2e(h2e, _as_SCIvector(c, ci_strs), norb, nelec, link_index) 444 ci0 = myci.enlarge_space(ci0, h2e, norb, nelec)
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H A D | selected_ci_slow.py | 268 h2e = direct_spin1.absorb_h1e(h1e, eri, norb, nelec, .5) 278 ci0, ci_strs = enlarge_space(myci, (ci0, ci_strs), h2e, norb, nelec) 288 hc = contract_2e(h2e, (c, ci_strs), norb, nelec, link_index) 306 ci1, ci_strs = enlarge_space(myci, (ci0, ci_strs), h2e, norb, nelec)
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/dports/cad/verilator/verilator-4.216/test_regress/t/ |
H A D | t_flag_werror_bad2.out | 1 …Operator ASSIGNW expects 4 bits on the Assign RHS, but Assign RHS's CONST '6'h2e' generates 6 bits. 3 10 | wire [3:0] foo = 6'h2e;
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H A D | t_flag_wfatal.out | 1 …Operator ASSIGNW expects 4 bits on the Assign RHS, but Assign RHS's CONST '6'h2e' generates 6 bits. 3 10 | wire [3:0] foo = 6'h2e;
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H A D | t_flag_werror_bad1.out | 1 …Operator ASSIGNW expects 4 bits on the Assign RHS, but Assign RHS's CONST '6'h2e' generates 6 bits. 3 10 | wire [3:0] foo = 6'h2e;
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/dports/science/qmcpack/qmcpack-3.11.0/utils/afqmctools/afqmctools/hamiltonian/ |
H A D | converter.py | 66 h2e = numpy.zeros((nbasis, nbasis, nbasis, nbasis), dtype=numpy.complex128) 95 h2e[i-1,k-1,j-1,l-1] = integral 99 h2e[j-1,l-1,i-1,k-1] = integral 101 h2e[k-1,i-1,l-1,j-1] = integral.conjugate() 103 h2e[l-1,j-1,k-1,i-1] = integral.conjugate() 107 h2e[k-1,i-1,j-1,l-1] = integral 109 h2e[l-1,j-1,i-1,k-1] = integral 111 h2e[i-1,k-1,l-1,j-1] = integral 113 h2e[j-1,l-1,k-1,i-1] = integral 118 if numpy.any(numpy.abs(h2e.imag)) > 1e-18: [all …]
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/dports/science/py-pyscf/pyscf-2.0.1/pyscf/tools/ |
H A D | fcidump.py | 150 def from_integrals(filename, h1e, h2e, nmo, nelec, nuc=0, ms=0, orbsym=None, argument 155 write_eri(fout, h2e, nmo, tol=tol, float_format=float_format) 274 h2e = numpy.zeros(norb_pair*(norb_pair+1)//2) 288 h2e[ij*(ij+1)//2+kl] = float(dat[0]) 290 h2e[kl*(kl+1)//2+ij] = float(dat[0]) 304 result['H2'] = h2e
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/dports/science/py-pyscf/pyscf-2.0.1/pyscf/cc/test/ |
H A D | test_2e.py | 52 h2e = ao2mo.restore(1, ao2mo.kernel(mf._eri, mf.mo_coeff), norb) 54 eci, civec = fci.direct_spin0.kernel(h1e, h2e, norb, nelec)
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/dports/science/bagel/bagel-1.2.2/src/asd/dmrg/ |
H A D | dmrg_block.h | 96 … DMRG_Block1(GammaForestType&& forest, const std::map<BlockKey, std::shared_ptr<const Matrix>> h2e, in DMRG_Block1() argument 98 : DMRG_Block(coeff), H2e_(h2e), spin_(spin) { in DMRG_Block1() 101 for (auto& i : h2e) { in DMRG_Block1() 136 std::shared_ptr<const Matrix> h2e(const BlockKey& b) const { return H2e_.at(b); } in h2e() function
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/dports/science/py-pyscf/pyscf-2.0.1/pyscf/mrpt/test/ |
H A D | test_nevpt2.py | 60 h2e = ao2mo.incore.full(mf._eri, mo_cas) 61 h2e = ao2mo.restore(1, h2e, norb).transpose(0,2,1,3)
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/dports/www/yaws/yaws-2.0.6/src/ |
H A D | yaws_html.erl | 10 -export([parse/1,parse/2,h2e/1,tag_type/1]). 14 h2e(binary_to_list(B)). 18 case h2e(binary_to_list(B)) of 26 h2e(Input) -> function
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/dports/net/hostapd-devel/hostap-14ab4a816/src/common/ |
H A D | sae.h | 114 unsigned int h2e:1; member 134 int h2e);
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H A D | sae.c | 1347 sae->h2e = 0; in sae_prepare_commit() 1408 sae->h2e = 1; in sae_prepare_commit_pt() 1533 if (!sae->h2e) in sae_derive_keys() 1659 if (!sae->h2e && token) { in sae_write_commit() 1700 if (sae->h2e && sae->tmp->own_rejected_groups) { in sae_write_commit() 1710 if (sae->h2e && token) { in sae_write_commit() 1798 size_t *token_len, int h2e) in sae_parse_commit_token() argument 1807 if (h2e) in sae_parse_commit_token() 2085 int h2e) in sae_parse_commit() argument 2117 if (h2e) { in sae_parse_commit() [all …]
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/dports/security/wpa_supplicant-devel/hostap-14ab4a816/src/common/ |
H A D | sae.h | 114 unsigned int h2e:1; member 134 int h2e);
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H A D | sae.c | 1347 sae->h2e = 0; in sae_prepare_commit() 1408 sae->h2e = 1; in sae_prepare_commit_pt() 1533 if (!sae->h2e) in sae_derive_keys() 1659 if (!sae->h2e && token) { in sae_write_commit() 1700 if (sae->h2e && sae->tmp->own_rejected_groups) { in sae_write_commit() 1710 if (sae->h2e && token) { in sae_write_commit() 1798 size_t *token_len, int h2e) in sae_parse_commit_token() argument 1807 if (h2e) in sae_parse_commit_token() 2085 int h2e) in sae_parse_commit() argument 2117 if (h2e) { in sae_parse_commit() [all …]
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/dports/science/lammps/lammps-stable_29Sep2021/src/EFF/ |
H A D | pair_eff_cut.h | 55 double hhmss2e, h2e; variable
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H A D | pair_eff_cut.cpp | 451 ecp_epauli *= h2e; in compute() 452 ecp_fpair *= h2e; in compute() 455 e2rforce = spline * (qqrd2e * e2rforce + h2e * ecp_e2rforce); in compute() 515 ecp_epauli *= h2e; in compute() 516 ecp_fpair *= h2e; in compute() 519 e1rforce = spline * (qqrd2e * e1rforce + h2e * ecp_e1rforce); in compute() 835 h2e = 627.509; // hartree->kcal/mol in settings() 838 h2e = 1.0; in settings()
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