/dports/science/erkale-pseudopotentials/erkale-870e772f09631b3dbdd99a18e4f3d4786d684a01/src/ |
H A D | gaunt.cpp | 46 table=arma::cube(lmind(Lmax,Lmax)+1,lmind(lmax,lmax)+1,lmind(lpmax,lpmax)+1); in Gaunt() 57 table(lmind(L,M),lmind(l,m),lmind(lp,mp))=gaunt_coefficient(L,M,l,m,lp,mp); in Gaunt() 64 return table(lmind(L,M),lmind(l,m),lmind(lp,mp)); in coeff()
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H A D | lmgrid.cpp | 136 Ylm[i].resize(lmind(lmax,lmax)+1); in compute_spherical_harmonics() 150 Ylm[i][lmind(l,m)]=spherical_harmonics(l,m,cth,phi); in compute_spherical_harmonics() 161 Ylm[i].resize(lmind(lmax,lmax)+1); in compute_solid_harmonics() 175 Ylm[i][lmind(l,m)]=solid_harmonics(l,m,cth,phi); in compute_solid_harmonics() 217 res+=grid[ip].w*Ylm_conj[ip][lmind(l2,m2)]*conj(Ylm_conj[ip][lmind(l1,m1)]); in expand_orbitals() 307 res+=grid[ip].w*Ylm[ip][lmind(l2,m2)]*Ylm[ip][lmind(l1,m1)]; in expand_orbitals_real() 367 if(exp.clm[0].size() == lmind(lmax,lmax)+1) in weight_decomposition() 391 angtype(m+l)+=std::pow(exp.clm[io][lmind(l,m)][irad],2)*exp.grid[irad].w; in weight_decomposition() 416 ret(io,m+l)+=std::pow(exp.clm[io][lmind(l,m)][irad],2)*exp.grid[irad].w; in angular_decomposition() 427 if(exp.clm[0].size() == lmind(lmax,lmax)+1) in weight_decomposition() [all …]
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H A D | lmgrid.h | 26 #define lmind(l,m) ( ((size_t) (l))*(size_t (l)) + (size_t) (l) + (size_t) (m)) macro
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/dports/science/erkale/erkale-8297aefe5aac9dbbb291e04c07661f3cff94a99a/src/ |
H A D | gaunt.cpp | 46 table=arma::cube(lmind(Lmax,Lmax)+1,lmind(lmax,lmax)+1,lmind(lpmax,lpmax)+1); in Gaunt() 57 table(lmind(L,M),lmind(l,m),lmind(lp,mp))=gaunt_coefficient(L,M,l,m,lp,mp); in Gaunt() 64 return table(lmind(L,M),lmind(l,m),lmind(lp,mp)); in coeff()
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H A D | lmgrid.cpp | 136 Ylm[i].resize(lmind(lmax,lmax)+1); in compute_spherical_harmonics() 150 Ylm[i][lmind(l,m)]=spherical_harmonics(l,m,cth,phi); in compute_spherical_harmonics() 161 Ylm[i].resize(lmind(lmax,lmax)+1); in compute_solid_harmonics() 175 Ylm[i][lmind(l,m)]=solid_harmonics(l,m,cth,phi); in compute_solid_harmonics() 217 res+=grid[ip].w*Ylm_conj[ip][lmind(l2,m2)]*conj(Ylm_conj[ip][lmind(l1,m1)]); in expand_orbitals() 307 res+=grid[ip].w*Ylm[ip][lmind(l2,m2)]*Ylm[ip][lmind(l1,m1)]; in expand_orbitals_real() 367 if(exp.clm[0].size() == lmind(lmax,lmax)+1) in weight_decomposition() 391 angtype(m+l)+=std::pow(exp.clm[io][lmind(l,m)][irad],2)*exp.grid[irad].w; in weight_decomposition() 416 ret(io,m+l)+=std::pow(exp.clm[io][lmind(l,m)][irad],2)*exp.grid[irad].w; in angular_decomposition() 427 if(exp.clm[0].size() == lmind(lmax,lmax)+1) in weight_decomposition() [all …]
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H A D | lmgrid.h | 26 #define lmind(l,m) ( ((size_t) (l))*(size_t (l)) + (size_t) (l) + (size_t) (m)) macro
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/dports/science/erkale-pseudopotentials/erkale-870e772f09631b3dbdd99a18e4f3d4786d684a01/src/xrs/ |
H A D | lmtrans.cpp | 35 while(lmind(lmax,lmax)<exp.clm[0].size()) in lmtrans() 56 size_t iind=lmind(li,mi); in radial_integral() 62 size_t find=lmind(lf,mf); in radial_integral() 135 std::vector< std::complex<double> > conj_sphharm(lmind(2*lmax,2*lmax)+1); in transition_amplitude() 138 conj_sphharm[lmind(l,m)]=conj(spherical_harmonics(l,m,cth,phi)); in transition_amplitude() 159 … aif+=rad.itg[l](lmind(li,mi),lmind(lf,mf))*gaunt.coeff(lf,mf,l,m,li,mi)*conj_sphharm[lmind(l,m)]; in transition_amplitude() 242 arr(ir,npar+l)+=norm(exp.clm[o][lmind(l,m)][ir]); in write_prob()
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/dports/science/erkale/erkale-8297aefe5aac9dbbb291e04c07661f3cff94a99a/src/xrs/ |
H A D | lmtrans.cpp | 35 while(lmind(lmax,lmax)<exp.clm[0].size()) in lmtrans() 56 size_t iind=lmind(li,mi); in radial_integral() 62 size_t find=lmind(lf,mf); in radial_integral() 135 std::vector< std::complex<double> > conj_sphharm(lmind(2*lmax,2*lmax)+1); in transition_amplitude() 138 conj_sphharm[lmind(l,m)]=conj(spherical_harmonics(l,m,cth,phi)); in transition_amplitude() 159 … aif+=rad.itg[l](lmind(li,mi),lmind(lf,mf))*gaunt.coeff(lf,mf,l,m,li,mi)*conj_sphharm[lmind(l,m)]; in transition_amplitude() 242 arr(ir,npar+l)+=norm(exp.clm[o][lmind(l,m)][ir]); in write_prob()
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/dports/science/InsightToolkit/ITK-5.0.1/Modules/Registration/FEM/include/ |
H A D | itkFEMRegistrationFilter.hxx | 397 for( unsigned int lmind = 0; lmind < m_LandmarkArray.size(); lmind++ ) in ApplyLoads() local 399 m_LandmarkArray[lmind]->GetElementArray()[0] = nullptr; in ApplyLoads() 401 itkDebugMacro( << " Prescale Pt: " << m_LandmarkArray[lmind]->GetTarget() ); in ApplyLoads() 408 pu = m_LandmarkArray[lmind]->GetSource(); in ApplyLoads() 409 pd = m_LandmarkArray[lmind]->GetPoint(); in ApplyLoads() 416 m_LandmarkArray[lmind]->SetPoint(pd); in ApplyLoads() 421 m_LandmarkArray[lmind]->SetGlobalNumber(lmind); in ApplyLoads() 841 for( unsigned int lmind = 0; lmind < m_LandmarkArray.size(); lmind++ ) in EnforceDiffeomorphism() local 844 itkDebugMacro( << " Target: " << m_LandmarkArray[lmind]->GetTarget() ); in EnforceDiffeomorphism() 847 m_LandmarkArray[lmind]->GetSource() = m_LandmarkArray[lmind]->GetSource() in EnforceDiffeomorphism() [all …]
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/dports/science/helfem/HelFEM-21461e9/src/general/ |
H A D | gaunt.cpp | 29 #define lmind(L,M) ( ((size_t) (L))*(size_t (2*mmax+1)) + (size_t) (mmax) + (size_t) (M)) macro 94 table=arma::cube(LMind(Lmax,Mmax)+1,lmind(lmax,mmax)+1,lpmpind(lpmax,mpmax)+1); in Gaunt() 106 table(LMind(L,M),lmind(l,m),lpmpind(lp,mp))=gaunt_coefficient(L,M,l,m,lp,mp); in Gaunt() 120 icol=lmind(l,m); in coeff()
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/dports/science/erkale-pseudopotentials/erkale-870e772f09631b3dbdd99a18e4f3d4786d684a01/src/emd/ |
H A D | spherical_expansion.cpp | 37 #define lmind(l,m) ((l)*(l)+l+m) macro 39 #define multloc(l1,m1,l2,m2) (lmind(maxam+1,maxam+1)*lmind(l1,m1)+lmind(l2,m2))
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H A D | emd.cpp | 46 #define lmind(l,m) ( ((size_t) (l))*(size_t (l)) + (size_t) (l) + (size_t) (m)) macro 153 YLM[i].resize(lmind(Lmax,Lmax)+1); in distance_table() 168 YLM[ind][lmind(L,M)]=0.0; in distance_table() 170 YLM[ind][lmind(0,0)]=1.0/sqrt(4.0*M_PI); in distance_table() 192 YLM[ind][lmind(L,M)]=std::conj(spherical_harmonics(L,M,cth,phi)); in distance_table() 574 … std::complex<double> incr=2.0*P(mu,nu)*totc[ic].c*YLM[ibes][lmind(L,M)]*pow(ylmsign,L)*jl(ibes,L); in get() 631 std::complex<double> incr=P(mu,nu)*totc[ic].c*YLM[ibes][lmind(L,M)]*pow(ylmsign,L)*jl(ibes,L); in get()
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/dports/science/erkale/erkale-8297aefe5aac9dbbb291e04c07661f3cff94a99a/src/emd/ |
H A D | spherical_expansion.cpp | 37 #define lmind(l,m) ((l)*(l)+l+m) macro 39 #define multloc(l1,m1,l2,m2) (lmind(maxam+1,maxam+1)*lmind(l1,m1)+lmind(l2,m2))
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H A D | emd.cpp | 46 #define lmind(l,m) ( ((size_t) (l))*(size_t (l)) + (size_t) (l) + (size_t) (m)) macro 153 YLM[i].resize(lmind(Lmax,Lmax)+1); in distance_table() 168 YLM[ind][lmind(L,M)]=0.0; in distance_table() 170 YLM[ind][lmind(0,0)]=1.0/sqrt(4.0*M_PI); in distance_table() 192 YLM[ind][lmind(L,M)]=std::conj(spherical_harmonics(L,M,cth,phi)); in distance_table() 574 … std::complex<double> incr=2.0*P(mu,nu)*totc[ic].c*YLM[ibes][lmind(L,M)]*pow(ylmsign,L)*jl(ibes,L); in get() 631 std::complex<double> incr=P(mu,nu)*totc[ic].c*YLM[ibes][lmind(L,M)]*pow(ylmsign,L)*jl(ibes,L); in get()
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/dports/science/helfem/HelFEM-21461e9/src/diatomic/ |
H A D | basis.h | 177 size_t lmind(int L, int M, bool check=true) const;
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H A D | basis.cpp | 479 size_t idx=lmind(L,M,false); in TwoDBasis() 1422 size_t TwoDBasis::lmind(int L, int M, bool check) const { in lmind() function in helfem::diatomic::basis::TwoDBasis 1525 const size_t ilm(lmind(L,M)); in coulomb() 1743 const size_t ilm(lmind(L,M)); in exchange()
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