/dports/science/siesta/siesta-4.1.5/Src/ |
H A D | basis_specs.f | 300 basp%mass = atmass(abs(int(basp%z))) 479 if (l .gt. basp%lmxkb) basp%lmxkb = l 511 basp%lmxkb = basp%lmxkb_requested 513 allocate(basp%kbshell(0:basp%lmxkb)) 552 allocate(basp%kbshell(0:basp%lmxkb)) 691 allocate(basp%tmp_shell(basp%nshells_tmp)) 701 basp%lmxo = max(basp%lmxo,s%l) 712 basp%lmxo = max(basp%lmxo,s%l) 880 allocate (basp%lshell(0:basp%lmxo)) 1224 basp%lmxo = basp%ground_state%lmax_valence [all …]
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H A D | dftu_specs.f | 434 basp => basis_parameters(isp) 443 allocate(basp%dftushell(basp%ndftushells)) 465 basp%lmxdftupj = max(basp%lmxdftupj,dftu%l) 473 basp%lmxdftupj = max(basp%lmxdftupj,dftu%l) 482 if (basp%semic) 486 basp%lmxdftupj = max(basp%lmxdftupj,dftu%l) 503 do i = 0 , basp%lmxo 594 do ish = 1, basp%ndftushells 840 basp => basis_parameters(isp) 849 ndftupj = basp%ndftushells [all …]
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H A D | basis_types.f | 504 do l=0,basp%lmxo 505 ls=>basp%lshell(l) 512 do l=0,basp%lmxkb 513 k=>basp%kbshell(l) 625 iz(isp) = basp%z 627 lmxo(isp) = basp%lmxo 630 smass(isp) = basp%mass 634 do l=0,basp%lmxo 635 ls=>basp%lshell(l) 701 do l=0,basp%lmxkb [all …]
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H A D | initatom.f | 65 type(basis_def_t), pointer :: basp 112 basp => basis_parameters(is) 114 basp%label = species_label(is) 115 call pseudo_read(basp%label,basp%pseudopotential) 135 basp=>basis_parameters(is) 150 & filtercut(0:lmaxd,1:nsemx,is), basp)
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/dports/science/helfem/HelFEM-21461e9/src/diatomic/ |
H A D | twodquadrature.cpp | 41 bf_ind=basp->bf_list(iel,m); in compute_bf() 46 r(0)=basp->get_r(iel)(irad); in compute_bf() 48 wrad(0)=basp->get_wrad(iel)(irad); in compute_bf() 50 double Rhalf(basp->get_Rhalf()); in compute_bf() 88 double Rhalf(basp->get_Rhalf()); in model_potential() 113 double Rhalf(basp->get_Rhalf()); in gto() 153 double Rhalf(basp->get_Rhalf()); in sto() 214 H.zeros(basp->Ndummy(),basp->Ndummy()); in model_potential() 233 H=basp->remove_boundaries(H); in model_potential() 240 S.zeros(basp->Ndummy(),basp->Ndummy()); in overlap() [all …]
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H A D | dftgrid.cpp | 709 bf_ind=basp->bf_list(iel); in compute_bf() 715 r(0)=basp->get_r(iel)(irad); in compute_bf() 717 double Rhalf(basp->get_Rhalf()); in compute_bf() 808 H.zeros(basp->Ndummy(),basp->Ndummy()); in eval_Fxc() 849 H=basp->remove_boundaries(H); in eval_Fxc() 853 Ha.zeros(basp->Ndummy(),basp->Ndummy()); in eval_Fxc() 854 Hb.zeros(basp->Ndummy(),basp->Ndummy()); in eval_Fxc() 896 Ha=basp->remove_boundaries(Ha); in eval_Fxc() 897 Hb=basp->remove_boundaries(Hb); in eval_Fxc() 901 arma::mat S(basp->Ndummy(),basp->Ndummy()); in eval_overlap() [all …]
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H A D | twodquadrature.h | 40 const helfem::diatomic::basis::TwoDBasis *basp; 65 TwoDGridWorker(const helfem::diatomic::basis::TwoDBasis * basp, int lang); 96 const helfem::diatomic::basis::TwoDBasis * basp; 104 TwoDGrid(const helfem::diatomic::basis::TwoDBasis * basp, int lang);
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/dports/devel/caf/actor-framework-0.18.5/libcaf_io/test/io/ |
H A D | basp_broker.cpp | 188 basp::instance& instance() { in instance() 193 basp::routing_table& tbl() { in tbl() 232 basp::header hdr; in from_buf() 290 basp::header hdr; in dispatch_out_buf() 336 basp::header hdr; in receive() 440 basp::header hdr; in CAF_TEST_FIXTURE_SCOPE() 443 basp::header expected{basp::message_type::server_handshake, in CAF_TEST_FIXTURE_SCOPE() 461 basp::header hdr; in CAF_TEST() 464 basp::header expected{basp::message_type::server_handshake, in CAF_TEST() 573 {basp::message_type::server_handshake, 0, 0, basp::version, in CAF_TEST() [all …]
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H A D | worker.cpp | 74 detail::worker_hub<io::basp::worker> hub; 75 io::basp::message_queue queue; 111 io::basp::header hdr{io::basp::message_type::direct_message, in CAF_TEST_FIXTURE_SCOPE()
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/dports/biology/ncbi-toolkit/ncbi/biostruc/newvast/ |
H A D | vastuti.c | 189 if (basp != NULL) return basp; in LocalGetFeatureSet() 194 if (basp == NULL) in LocalGetFeatureSet() 197 pbsfs = basp->features; in LocalGetFeatureSet() 205 basp2->id = basp->id; in LocalGetFeatureSet() 221 BiostrucAnnotSetFree(basp); in LocalGetFeatureSet() 235 if (basp == NULL) in BiostrucAnnotSetGetByFid() 238 pbsfs = basp->features; in BiostrucAnnotSetGetByFid() 247 basp2->id = basp->id; in BiostrucAnnotSetGetByFid() 271 BiostrucAnnotSetFree(basp); in BiostrucAnnotSetGetByFid() 327 pbsfs = basp->features; in PruneBiostrucAnnotHits() [all …]
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/dports/science/erkale/erkale-8297aefe5aac9dbbb291e04c07661f3cff94a99a/src/ |
H A D | badergrid.cpp | 50 basp=&basis; in set() 55 basp=&basis; in set() 71 sh.cen=basp->get_nuclear_coords(iat); in construct_bader() 96 for(size_t i=0;i<basp->get_Nnuc();i++) { in construct_bader() 97 nucleus_t nuc(basp->get_nucleus(i)); in construct_bader() 220 arma::uvec np(basp->get_Nnuc()); in construct_bader() 223 arma::uvec nf(basp->get_Nnuc()); in construct_bader() 277 nucleus_t nuc(basp->get_nucleus(i)); in construct_voronoi() 314 arma::uvec np(basp->get_Nnuc()); in construct_voronoi() 317 arma::uvec nf(basp->get_Nnuc()); in construct_voronoi() [all …]
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H A D | eritable.cpp | 59 size_t ERItable::N_ints(const BasisSet * basp, double thr) { in N_ints() argument 61 shpairs=basp->get_eripairs(Q, M, thr, omega, alpha, beta); in N_ints() 204 size_t ERItable::fill(const BasisSet * basp, double tol) { in fill() argument 205 Nbf=basp->get_Nbf(); in fill() 208 std::vector<GaussianShell> shells=basp->get_shells(); in fill() 212 N=N_ints(basp,tol); in fill() 238 ….0 && beta==0.0) ? new ERIWorker(basp->get_max_am(),basp->get_max_Ncontr()) : new ERIWorker_srlr(b… in fill()
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/dports/science/erkale-pseudopotentials/erkale-870e772f09631b3dbdd99a18e4f3d4786d684a01/src/ |
H A D | badergrid.cpp | 50 basp=&basis; in set() 55 basp=&basis; in set() 71 sh.cen=basp->get_nuclear_coords(iat); in construct_bader() 96 for(size_t i=0;i<basp->get_Nnuc();i++) { in construct_bader() 97 nucleus_t nuc(basp->get_nucleus(i)); in construct_bader() 220 arma::uvec np(basp->get_Nnuc()); in construct_bader() 223 arma::uvec nf(basp->get_Nnuc()); in construct_bader() 277 nucleus_t nuc(basp->get_nucleus(i)); in construct_voronoi() 314 arma::uvec np(basp->get_Nnuc()); in construct_voronoi() 317 arma::uvec nf(basp->get_Nnuc()); in construct_voronoi() [all …]
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H A D | eritable.cpp | 59 size_t ERItable::N_ints(const BasisSet * basp, double thr) { in N_ints() argument 61 shpairs=basp->get_eripairs(Q, M, thr, omega, alpha, beta); in N_ints() 204 size_t ERItable::fill(const BasisSet * basp, double tol) { in fill() argument 205 Nbf=basp->get_Nbf(); in fill() 208 std::vector<GaussianShell> shells=basp->get_shells(); in fill() 212 N=N_ints(basp,tol); in fill() 238 ….0 && beta==0.0) ? new ERIWorker(basp->get_max_am(),basp->get_max_Ncontr()) : new ERIWorker_srlr(b… in fill()
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/dports/biology/ncbi-toolkit/ncbi/biostruc/newVSch/ |
H A D | vastuti.cpp | 261 if (basp == NULL) in BiostrucAnnotSetGetByFid() 264 pbsfs = basp->features; in BiostrucAnnotSetGetByFid() 272 basp2->id = basp->id; in BiostrucAnnotSetGetByFid() 274 basp2->descr = basp->descr; in BiostrucAnnotSetGetByFid() 288 BiostrucAnnotSetFree(basp); in BiostrucAnnotSetGetByFid() 296 BiostrucAnnotSetFree(basp); in BiostrucAnnotSetGetByFid() 352 if ((basp == NULL) || (pvnFids == NULL) || (FSID == 0)) in PruneBiostrucAnnotHits() 355 pbsfs = basp->features; in PruneBiostrucAnnotHits() 359 basp2->id = basp->id; in PruneBiostrucAnnotHits() 361 basp2->descr = basp->descr; in PruneBiostrucAnnotHits() [all …]
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/dports/devel/caf/actor-framework-0.18.5/libcaf_io/src/io/basp/ |
H A D | worker.cpp | 12 namespace caf::io::basp { namespace 27 void worker::launch(const node_id& last_hop, const basp::header& hdr, in launch() 30 CAF_ASSERT(hdr.operation == basp::message_type::direct_message in launch() 31 || hdr.operation == basp::message_type::routed_message); in launch() 34 memcpy(&hdr_, &hdr, sizeof(basp::header)); in launch()
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/dports/biology/ncbi-toolkit/ncbi/biostruc/ |
H A D | vastsrv.c | 1077 if (basp != NULL) return basp; in LocalGetFeatureSet() 1082 if (basp == NULL) in LocalGetFeatureSet() 1085 pbsfs = basp->features; in LocalGetFeatureSet() 1093 basp2->id = basp->id; in LocalGetFeatureSet() 1103 BiostrucAnnotSetFree(basp); in LocalGetFeatureSet() 1109 BiostrucAnnotSetFree(basp); in LocalGetFeatureSet() 1131 pbsfs = basp->features; in PruneBiostrucAnnotHits() 1137 basp2->id = basp->id; in PruneBiostrucAnnotHits() 1148 BiostrucAnnotSetFree(basp); in PruneBiostrucAnnotHits() 1203 if (basp == NULL) in BiostrucAnnotSetGetByFid() [all …]
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/dports/science/helfem/HelFEM-21461e9/src/sadatom/ |
H A D | dftgrid.cpp | 483 bf_ind=basp->bf_list(iel); in compute_bf() 486 arma::vec r(basp->get_r(iel)); in compute_bf() 487 arma::vec wrad(basp->get_wrad(iel)); in compute_bf() 496 bf=arma::trans(basp->eval_bf(iel)); in compute_bf() 499 bf_rho=arma::trans(basp->eval_df(iel)); in compute_bf() 525 DFTGridWorker grid(basp); in eval_Fxc() 531 for(size_t iel=0;iel<basp->get_rad_Nel();iel+=2) { in eval_Fxc() 550 for(size_t iel=1;iel<basp->get_rad_Nel();iel+=2) { in eval_Fxc() 583 DFTGridWorker grid(basp); in eval_Fxc() 632 arma::mat S(basp->Nbf(),basp->Nbf()); in eval_overlap() [all …]
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/dports/devel/caf/actor-framework-0.18.5/libcaf_io/caf/io/basp/ |
H A D | endpoint_context.hpp | 18 namespace caf::io::basp { namespace 23 basp::connection_state cstate; 25 basp::header hdr;
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H A D | remote_message_handler.hpp | 27 namespace caf::io::basp { namespace 49 if (dref.hdr_.has(basp::header::named_receiver_flag)) { in handle_remote_message() 65 if (dref.hdr_.operation == basp::message_type::routed_message) { in handle_remote_message() 85 CAF_ASSERT(dref.hdr_.operation == basp::message_type::direct_message); in handle_remote_message()
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/dports/devel/caf/actor-framework-0.18.5/libcaf_io/src/io/ |
H A D | basp_broker.cpp | 47 basp::instance::callee(super::system(), in basp_broker() 50 new (&instance) basp::instance(this, *this); in basp_broker() 132 ctx.cstate == basp::await_payload); in make_behavior() 139 auto rd_size = next == basp::await_payload ? ctx.hdr.payload_len in make_behavior() 140 : basp::header_size; in make_behavior() 314 configure_read(hdl, receive_policy::exactly(basp::header_size)); in make_behavior() 326 ctx.cstate = basp::await_header; in make_behavior() 600 basp::header::spawn_server_id, in learned_new_node() 632 basp::header::named_receiver_flag, make_message_id(), in learned_new_node_indirectly() 644 basp::header hdr{basp::message_type::server_handshake, in set_context() [all …]
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/dports/science/helfem/HelFEM-21461e9/src/atomic/ |
H A D | dftgrid.cpp | 56 arma::mat P(basp->expand_boundaries(P0)(bf_ind,bf_ind)); in update_density() 674 bf_ind=basp->bf_list(iel); in compute_bf() 677 arma::vec r(basp->get_r(iel)); in compute_bf() 678 arma::vec wrad(basp->get_wrad(iel)); in compute_bf() 770 DFTGridWorker grid(basp,lang,mang); in eval_Fxc() 776 for(size_t iel=0;iel<basp->get_rad_Nel();iel+=2) { in eval_Fxc() 832 DFTGridWorker grid(basp,lang,mang); in eval_Fxc() 884 arma::mat S(basp->Nbf(),basp->Nbf()); in eval_overlap() 891 DFTGridWorker grid(basp,lang,mang); in eval_overlap() 914 arma::mat T(basp->Nbf(),basp->Nbf()); in eval_kinetic() [all …]
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/dports/devel/caf/actor-framework-0.18.5/libcaf_io/caf/io/ |
H A D | basp_broker.hpp | 32 public basp::instance::callee { 38 using ctx_map = std::unordered_map<connection_handle, basp::endpoint_context>; 126 basp::instance instance; 133 basp::endpoint_context* this_context;
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/dports/net-mgmt/observium/observium/mibs/broadcom/ |
H A D | Brcm-BASPTrap-MIB | 19 basp OBJECT IDENTIFIER ::= { enet 2 } 20 baspConfig OBJECT IDENTIFIER ::= { basp 1 } 21 baspStat OBJECT IDENTIFIER ::= { basp 2 } 22 baspTrap OBJECT IDENTIFIER ::= { basp 3 }
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/dports/science/erkale-pseudopotentials/erkale-870e772f09631b3dbdd99a18e4f3d4786d684a01/src/casida/ |
H A D | casida_grid.cpp | 212 basp=bas; in CasidaGrid() 246 std::vector<size_t> nrad(basp->get_Nnuc()); in construct() 249 for(size_t iat=0;iat<basp->get_Nnuc();iat++) { in construct() 252 sh.cen=basp->get_nuclear_coords(iat); in construct() 256 size_t nr=std::max(20,(int) round(-5*(3*log10(ftoler)+6-element_row[basp->get_Z(iat)]))); in construct() 381 arma::uvec np(basp->get_Nnuc()); in print_grid() 384 arma::uvec nf(basp->get_Nnuc()); in print_grid() 393 for(size_t i=0;i<basp->get_Nnuc();i++) in print_grid() 394 printf(" %4i %-2s %7i %10i\n",(int) i+1, basp->get_symbol(i).c_str(), (int) np(i), (int) nf(i)); in print_grid()
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