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Searched refs:basp (Results 1 – 25 of 92) sorted by relevance

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/dports/science/siesta/siesta-4.1.5/Src/
H A Dbasis_specs.f300 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 …]
H A Ddftu_specs.f434 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 …]
H A Dbasis_types.f504 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
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H A Dinitatom.f65 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)
/dports/science/helfem/HelFEM-21461e9/src/diatomic/
H A Dtwodquadrature.cpp41 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()
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H A Ddftgrid.cpp709 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()
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H A Dtwodquadrature.h40 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);
/dports/devel/caf/actor-framework-0.18.5/libcaf_io/test/io/
H A Dbasp_broker.cpp188 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()
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H A Dworker.cpp74 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()
/dports/biology/ncbi-toolkit/ncbi/biostruc/newvast/
H A Dvastuti.c189 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 …]
/dports/science/erkale/erkale-8297aefe5aac9dbbb291e04c07661f3cff94a99a/src/
H A Dbadergrid.cpp50 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()
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H A Deritable.cpp59 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()
/dports/science/erkale-pseudopotentials/erkale-870e772f09631b3dbdd99a18e4f3d4786d684a01/src/
H A Dbadergrid.cpp50 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 …]
H A Deritable.cpp59 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()
/dports/biology/ncbi-toolkit/ncbi/biostruc/newVSch/
H A Dvastuti.cpp261 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 …]
/dports/devel/caf/actor-framework-0.18.5/libcaf_io/src/io/basp/
H A Dworker.cpp12 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()
/dports/biology/ncbi-toolkit/ncbi/biostruc/
H A Dvastsrv.c1077 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 …]
/dports/science/helfem/HelFEM-21461e9/src/sadatom/
H A Ddftgrid.cpp483 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 …]
/dports/devel/caf/actor-framework-0.18.5/libcaf_io/caf/io/basp/
H A Dendpoint_context.hpp18 namespace caf::io::basp { namespace
23 basp::connection_state cstate;
25 basp::header hdr;
H A Dremote_message_handler.hpp27 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()
/dports/devel/caf/actor-framework-0.18.5/libcaf_io/src/io/
H A Dbasp_broker.cpp47 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()
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/dports/science/helfem/HelFEM-21461e9/src/atomic/
H A Ddftgrid.cpp56 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 …]
/dports/devel/caf/actor-framework-0.18.5/libcaf_io/caf/io/
H A Dbasp_broker.hpp32 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;
/dports/net-mgmt/observium/observium/mibs/broadcom/
H A DBrcm-BASPTrap-MIB19 basp OBJECT IDENTIFIER ::= { enet 2 }
20 baspConfig OBJECT IDENTIFIER ::= { basp 1 }
21 baspStat OBJECT IDENTIFIER ::= { basp 2 }
22 baspTrap OBJECT IDENTIFIER ::= { basp 3 }
/dports/science/erkale-pseudopotentials/erkale-870e772f09631b3dbdd99a18e4f3d4786d684a01/src/casida/
H A Dcasida_grid.cpp212 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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