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Searched refs:lmind (Results 1 – 16 of 16) sorted by relevance

/dports/science/erkale-pseudopotentials/erkale-870e772f09631b3dbdd99a18e4f3d4786d684a01/src/
H A Dgaunt.cpp46 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()
H A Dlmgrid.cpp136 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 …]
H A Dlmgrid.h26 #define lmind(l,m) ( ((size_t) (l))*(size_t (l)) + (size_t) (l) + (size_t) (m)) macro
/dports/science/erkale/erkale-8297aefe5aac9dbbb291e04c07661f3cff94a99a/src/
H A Dgaunt.cpp46 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()
H A Dlmgrid.cpp136 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 …]
H A Dlmgrid.h26 #define lmind(l,m) ( ((size_t) (l))*(size_t (l)) + (size_t) (l) + (size_t) (m)) macro
/dports/science/erkale-pseudopotentials/erkale-870e772f09631b3dbdd99a18e4f3d4786d684a01/src/xrs/
H A Dlmtrans.cpp35 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()
/dports/science/erkale/erkale-8297aefe5aac9dbbb291e04c07661f3cff94a99a/src/xrs/
H A Dlmtrans.cpp35 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()
/dports/science/InsightToolkit/ITK-5.0.1/Modules/Registration/FEM/include/
H A DitkFEMRegistrationFilter.hxx397 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 …]
/dports/science/helfem/HelFEM-21461e9/src/general/
H A Dgaunt.cpp29 #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()
/dports/science/erkale-pseudopotentials/erkale-870e772f09631b3dbdd99a18e4f3d4786d684a01/src/emd/
H A Dspherical_expansion.cpp37 #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))
H A Demd.cpp46 #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()
/dports/science/erkale/erkale-8297aefe5aac9dbbb291e04c07661f3cff94a99a/src/emd/
H A Dspherical_expansion.cpp37 #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))
H A Demd.cpp46 #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()
/dports/science/helfem/HelFEM-21461e9/src/diatomic/
H A Dbasis.h177 size_t lmind(int L, int M, bool check=true) const;
H A Dbasis.cpp479 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()