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/dports/science/helfem/HelFEM-21461e9/src/sadatom/
H A Dbasis.cpp163 size_t Nel(radial.Nel()); in compute_tei() local
175 prim_tei.resize(Nel*Nel*N_L); in compute_tei()
195 …prim_ktei[Nel*Nel*L + iel*Nel + iel]=utils::exchange_tei(prim_tei[Nel*Nel*L + iel*Nel + iel],Ni,Ni… in compute_tei()
205 size_t Nel(radial.Nel()); in compute_yukawa() local
226 rs_ktei.resize(Nel*Nel*N_L); in compute_yukawa()
244 size_t Nel(radial.Nel()); in compute_erfc() local
260 rs_ktei.resize(Nel*Nel*N_L); in compute_erfc()
280 size_t Nel(radial.Nel()); in coulomb() local
327 const size_t idx(Nel*Nel*L + iel*Nel + jel); in coulomb()
351 size_t Nel(radial.Nel()); in exchange() local
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H A Dmain.cpp255 if(initial.orbs.Nel()) { in main()
405 printf("%2i:",(int) (ulist[i].orbsa.Nel()-ulist[i].orbsb.Nel()+1)); in main()
498 printf("%2i:",(int) (totlist[i].orbsa.Nel()-totlist[i].orbsb.Nel()+1)); in main()
514 …intf("\nMinimum energy state is M = %i\n",(int) (totlist[0].orbsa.Nel()-totlist[0].orbsb.Nel()+1)); in main()
/dports/science/erkale-pseudopotentials/erkale-870e772f09631b3dbdd99a18e4f3d4786d684a01/src/contrib/
H A Doovl.cpp71 int Nel; in main_guarded() local
72 lhchk.read("Nel-a",Nel); in main_guarded()
73 if(lmat[0].n_cols> (size_t) Nel) in main_guarded()
89 int Nel; in main_guarded() local
90 lhchk.read("Nel-a",Nel); in main_guarded()
93 lhchk.read("Nel-b",Nel); in main_guarded()
108 int Nel; in main_guarded() local
109 rhchk.read("Nel-a",Nel); in main_guarded()
125 int Nel; in main_guarded() local
126 rhchk.read("Nel-a",Nel); in main_guarded()
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H A Dco-optimize.cpp671 Nel=stor.get_int("Number of electrons"); in compute_density_gaussian()
675 if(fabs(NelP-Nel)>=DMTRACETHR) { in compute_density_gaussian()
679 P*=Nel/NelP; in compute_density_gaussian()
831 chkpt.read("Nel",Nel); in compute_density_erkale()
850 Nel=0; in compute_density()
865 compute_density(Z,dimer,baslib,method,bas,P,Nel,E); in compute_density()
874 int Nel; in get_contraction() local
878 compute_density(Z,false,cpl,method,basis,P,Nel,E); in get_contraction()
882 if(fabs(arma::trace(P*S)-Nel)>DMTRACETHR) { in get_contraction()
1006 int Nel; in compute_value() local
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/dports/science/erkale/erkale-8297aefe5aac9dbbb291e04c07661f3cff94a99a/src/contrib/
H A Doovl.cpp71 int Nel; in main_guarded() local
72 lhchk.read("Nel-a",Nel); in main_guarded()
73 if(lmat[0].n_cols> (size_t) Nel) in main_guarded()
89 int Nel; in main_guarded() local
90 lhchk.read("Nel-a",Nel); in main_guarded()
93 lhchk.read("Nel-b",Nel); in main_guarded()
108 int Nel; in main_guarded() local
109 rhchk.read("Nel-a",Nel); in main_guarded()
125 int Nel; in main_guarded() local
126 rhchk.read("Nel-a",Nel); in main_guarded()
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H A Ddumpxc.cpp109 double Exc, Nel; in main() local
110 grid.eval_Fxc(dft.x_func,dft.c_func,P,F,Exc,Nel); in main()
134 double Exc, Nel; in main() local
135 grid.eval_Fxc(dft.x_func,dft.c_func,Pa,Pb,Fa,Fb,Exc,Nel); in main()
H A Dco-optimize.cpp671 Nel=stor.get_int("Number of electrons"); in compute_density_gaussian()
675 if(fabs(NelP-Nel)>=DMTRACETHR) { in compute_density_gaussian()
679 P*=Nel/NelP; in compute_density_gaussian()
827 chkpt.read("Nel",Nel); in compute_density_erkale()
846 Nel=0; in compute_density()
861 compute_density(Z,dimer,baslib,method,bas,P,Nel,E); in compute_density()
870 int Nel; in get_contraction() local
874 compute_density(Z,false,cpl,method,basis,P,Nel,E); in get_contraction()
878 if(fabs(arma::trace(P*S)-Nel)>DMTRACETHR) { in get_contraction()
1002 int Nel; in compute_value() local
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/dports/science/helfem/HelFEM-21461e9/src/atomic/
H A DTwoDBasis.cpp596 size_t Nel(radial.Nel()); in mem_1el_aux() local
607 size_t Nel(radial.Nel()); in mem_2el_aux() local
621 size_t Nel(radial.Nel()); in compute_tei() local
675 …prim_ktei[Nel*Nel*L + iel*Nel + iel]=utils::exchange_tei(prim_tei[Nel*Nel*L + iel*Nel + iel],Ni,Ni… in compute_tei()
699 size_t Nel(radial.Nel()); in compute_yukawa() local
720 rs_ktei.resize(Nel*Nel*N_L); in compute_yukawa()
738 size_t Nel(radial.Nel()); in compute_erfc() local
777 size_t Nel(radial.Nel()); in coulomb() local
871 const size_t idx(Nel*Nel*L + iel*Nel + jel); in coulomb()
921 size_t Nel(radial.Nel()); in exchange() local
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/dports/science/helfem/HelFEM-21461e9/src/diatomic/
H A Dbasis.cpp130 return Nel()*bf.n_cols-Nel()*get_noverlap(); in Nbf()
1264 size_t Nel(radial.Nel()); in mem_1el_aux() local
1275 size_t Nel(radial.Nel()); in mem_2el_aux() local
1286 size_t Nel(radial.Nel()); in compute_tei() local
1308 prim_tei00.resize(Nel*Nel*lm_map.size()); in compute_tei()
1320 const size_t idx(Nel*Nel*ilm + iel*Nel + iel); in compute_tei()
1387 size_t idx=Nel*Nel*ilm + iel*Nel + iel; in compute_tei()
1472 size_t Nel(radial.Nel()); in coulomb() local
1586 const size_t idx(Nel*Nel*ilm + iel*Nel + jel); in coulomb()
1645 size_t Nel(radial.Nel()); in exchange() local
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/dports/science/erkale/erkale-8297aefe5aac9dbbb291e04c07661f3cff94a99a/src/external/
H A Dfchkpt.cpp355 double neldiff=nelnum-Nel; in load_fchk()
356 if(fabs(neldiff)/Nel>tol) { in load_fchk()
388 P*=Nel/nelnum; in load_fchk()
449 for(int io=0;io<Nel/2;io++) in load_fchk()
476 chkpt.write("Nel",Nel); in load_fchk()
572 int Nel; in save_fchk() local
573 chkpt.read("Nel",Nel); in save_fchk()
574 print("Number of electrons",Nel,out); in save_fchk()
575 chkpt.read("Nel-a",Nel); in save_fchk()
577 chkpt.read("Nel-b",Nel); in save_fchk()
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/dports/science/erkale-pseudopotentials/erkale-870e772f09631b3dbdd99a18e4f3d4786d684a01/src/external/
H A Dfchkpt.cpp355 double neldiff=nelnum-Nel; in load_fchk()
356 if(fabs(neldiff)/Nel>tol) { in load_fchk()
388 P*=Nel/nelnum; in load_fchk()
449 for(int io=0;io<Nel/2;io++) in load_fchk()
476 chkpt.write("Nel",Nel); in load_fchk()
572 int Nel; in save_fchk() local
573 chkpt.read("Nel",Nel); in save_fchk()
574 print("Number of electrons",Nel,out); in save_fchk()
575 chkpt.read("Nel-a",Nel); in save_fchk()
577 chkpt.read("Nel-b",Nel); in save_fchk()
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/dports/editors/helix/helix-0.5.0/helix-core/src/
H A Dline_ending.rs16 Nel, // U+0085 -- NextLine enumerator
38 Self::Nel => "\u{0085}", in as_str()
51 '\u{0085}' => Some(LineEnding::Nel), in from_char()
71 "\u{0085}" => Some(LineEnding::Nel), in from_str()
144 Some(LineEnding::Nel) in get_line_ending_of_str()
/dports/science/afni/afni-AFNI_21.3.16/src/matlab/
H A DTest_m3dReorder.m6 Nel = length(List); variable
7 for (i=1:1:Nel),
/dports/devel/flex-sdk/flex-sdk-4.6.0.23201/frameworks/projects/rpc/bundles/it_IT/
H A Drpc.properties51 noServiceElement.details = Nel WDSL non sono stati trovati elementi <wsdl:service> in {0}.
54 overloadedOperation = Nel WDSL è presente un’operazione di overload ({0}). Questa modalità di utili…
92 noSuchServiceInWSDL = Nel file WDSL non è stato trovato il servizio '{0}' necessario.
93 noServices = Nel file WDSL non è presente alcun servizio valido.
95 noPortsInWSDL = Nel file WDSL non è presente alcuna porta valida per il servizio {0}.
/dports/editors/texmacs/TeXmacs-1.99.4-src/TeXmacs/doc/about/contribute/documentation/
H A Dcopyright.it.tm10 License|../../../fdl.txt>. Nel momento in cui scrivete nuova documentazione
26 macro <markup|tmdoc-license>. Nel momento in cui, a partire da molti file
32 parte, i diritti di copyright sull'intera documentazione redatta. Nel
40 successivo contiene i detentori del copyright. Nel momento in cui parti di
/dports/editors/texmacs/TeXmacs-1.99.4-src/TeXmacs/doc/main/scheme/
H A Dman-keyboard.it.tm26 Nel primo caso, le <verbatim|action_i> sono i comandi <apply|scheme>
27 associati alla stringa <verbatim|key-combination>. Nel secondo e nel terzo
/dports/graphics/kphotoalbum/kphotoalbum-5.8.1/po/it/docs/kphotoalbum/
H A Dsetting-properties.docbook5 >Nel<xref linkend="fig-empty-browser-window"/> puoi vedere un esempio della finestra che ti darà il…
8 …ser puoi selezionare diverse categorie per limitare le immagini da vedere. Nel<xref linkend="chp-b…
53 >Nel<xref linkend="fig-image-config-window"/> qui sotto puoi vedere la finestra per annotare le imm…
88 >Nel<xref linkend="fig-image-config-window"/> ci sono tre caselle combinate per specificare persone…
139 >Nel<xref linkend="fig-usa-as-a-member"/> puoi vedere una finestra del browser contenente l'Italia …
152 >Nel menu contestuale della finestra di annotazione è possibile aggiungere un elemento a una sovrac…
/dports/science/erkale-pseudopotentials/erkale-870e772f09631b3dbdd99a18e4f3d4786d684a01/src/
H A Dhirshfeld.cpp191 double Nel=arma::trace(P*bas.overlap()); in load() local
192 if(fabs(Nel-Z)>1e-3) { in load()
195 …oss << "Loaded density matrix for " << element_symbols[Z] << " contains " << Nel << " electrons!\n… in load()
H A Dscf-base.cpp1237 arma::cx_mat MOovl=arma::trans(sol.C.cols(0,Nel-1))*S*sol.cC.cols(0,Nel-1); in imag_lost()
1496 return form_density(C,Nel); in purify_density_NO()
1570 if(Nel%2!=0) { in get_restricted_occupancy()
1575 ret.resize(Nel/2); in get_restricted_occupancy()
1678 arma::mat Pnorm=P/Nel; in electron_spread()
1712 if(Nel%2==0) in get_Nel_alpha_beta()
1714 Nel_alpha=Nel/2+(mult-1)/2; in get_Nel_alpha_beta()
1717 Nel_alpha=Nel/2+mult/2; in get_Nel_alpha_beta()
1720 Nel_beta=Nel-Nel_alpha; in get_Nel_alpha_beta()
2063 chkpt.write("Nel",Nel); in calculate()
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/dports/science/erkale/erkale-8297aefe5aac9dbbb291e04c07661f3cff94a99a/src/
H A Dhirshfeld.cpp191 double Nel=arma::trace(P*bas.overlap()); in load() local
192 if(fabs(Nel-Z)>1e-3) { in load()
195 …oss << "Loaded density matrix for " << element_symbols[Z] << " contains " << Nel << " electrons!\n… in load()
/dports/science/erkale-pseudopotentials/erkale-870e772f09631b3dbdd99a18e4f3d4786d684a01/src/emd/
H A Demd.h250 double Nel;
264 EMD(const EMDEvaluator * poseval, const EMDEvaluator * negeval, double Nel, int l, int m);
H A Dmain.cpp228 int Nel; in main_guarded() local
229 chkpt.read("Nel",Nel); in main_guarded()
241 EMD emd(poseval, negeval, Nel, l, m); in main_guarded()
/dports/science/erkale/erkale-8297aefe5aac9dbbb291e04c07661f3cff94a99a/src/emd/
H A Demd.h250 double Nel;
264 EMD(const EMDEvaluator * poseval, const EMDEvaluator * negeval, double Nel, int l, int m);
H A Dmain.cpp228 int Nel; in main_guarded() local
229 chkpt.read("Nel",Nel); in main_guarded()
241 EMD emd(poseval, negeval, Nel, l, m); in main_guarded()
/dports/math/octave-forge-secs1d/secs1d-0.0.9/doc/function/
H A Dsecs1d_nlpoisson_newton.tex47 Nel = Nx - 1;
85 er = esio2r * ones(Nel, 1);

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