| /dports/science/jdftx/jdftx-1.6.0/jdftx/core/ |
| H A D | SphericalHarmonics.h | 132 template<int lm> __hostanddev__ double Ylm(const vector3<>& qhat) in Ylm() function
137 template<int l, int m> __hostanddev__ double Ylm(const vector3<>& qhat) in Ylm() function
197 inline double Ylm(int l, int m, const vector3<>& qHat) { double result=0.; SwitchTemplate_lm(l,m, … in Ylm() function
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| /dports/science/qmcpack/qmcpack-3.11.0/src/QMCWaveFunctions/LCAO/ |
| H A D | SoaSphericalTensor.h | 69 T* restrict Ylm = cYlm.data(0); in evaluateV() local
171 inline void SoaSphericalTensor<T>::evaluate_bare(T x, T y, T z, T* restrict Ylm) const in evaluate_bare()
268 T* restrict Ylm = cYlm.data(0); in evaluateVGL() local
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| H A D | SoaAtomicBasisSet.h | 47 SH Ylm; member
62 explicit SoaAtomicBasisSet(int lmax, bool addsignforM = false) : Ylm(lmax, addsignforM) {} in Ylm() function
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/kbpp/ |
| H A D | Tesseral.F | 9 > Ylm) argument
15 double precision Ylm(nfft1/2+1,nfft2,nfft3) local
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| /dports/science/erkale-pseudopotentials/erkale-870e772f09631b3dbdd99a18e4f3d4786d684a01/src/ |
| H A D | lmgrid.cpp | 133 std::vector< std::vector< std::complex<double> > > Ylm; in compute_spherical_harmonics() local
158 std::vector< std::vector<double> > Ylm; in compute_solid_harmonics() local
287 std::vector< std::vector< double > > Ylm=compute_solid_harmonics(grid,lmax); in expand_orbitals_real() local
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| /dports/science/erkale/erkale-8297aefe5aac9dbbb291e04c07661f3cff94a99a/src/ |
| H A D | lmgrid.cpp | 133 std::vector< std::vector< std::complex<double> > > Ylm; in compute_spherical_harmonics() local
158 std::vector< std::vector<double> > Ylm; in compute_solid_harmonics() local
287 std::vector< std::vector< double > > Ylm=compute_solid_harmonics(grid,lmax); in expand_orbitals_real() local
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/paw/paw_xc/ |
| H A D | paw_xc.F | 993 subroutine paw_xc_gen_sphere_rho(lmax2,ic,rholm,Ylm,rho) argument
997 real*8 Ylm(*) local
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/paw/paw_xc/ |
| H A D | paw_xc.F | 993 subroutine paw_xc_gen_sphere_rho(lmax2,ic,rholm,Ylm,rho) argument
997 real*8 Ylm(*) local
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| /dports/science/qmcpack/qmcpack-3.11.0/src/Numerics/ |
| H A D | Ylm.h | 84 inline std::complex<T> Ylm(int l, int m, const TinyVector<T, 3>& r) in Ylm() function
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| H A D | SphericalTensor.h | 120 std::vector<value_type> Ylm; variable
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| /dports/science/py-pyscf/pyscf-2.0.1/pyscf/pbc/gto/pseudo/ |
| H A D | pp.py | 206 def Ylm(l,m,theta,phi): function
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| /dports/science/qmcpack/qmcpack-3.11.0/src/QMCWaveFunctions/detail/CUDA_legacy/ |
| H A D | AtomicOrbitalCuda.cu | 242 __shared__ T Ylm[(LMAX+1)*(LMAX+1)]; in evaluateHybridSplineReal_kernel() local
315 __shared__ T Ylm[(LMAX+1)*(LMAX+1)]; in evaluateHybridPolyReal_kernel() local
909 __shared__ T Ylm[(LMAX+1)*(LMAX+1)][2]; in evaluateHybridSplineComplexToReal_kernel() local
1042 __shared__ T Ylm[(LMAX+1)*(LMAX+1)][2]; in evaluateHybridPolyComplexToReal_kernel() local
1293 __shared__ T Ylm[(LMAX+1)*(LMAX+1)][2], in evaluateHybridSplineComplexToReal_kernel() local
1550 __shared__ T Ylm[(LMAX+1)*(LMAX+1)][2], in evaluateHybridPolyComplexToReal_kernel() local
1713 T **Ylm, T **dYlm_dTheta, T **dYlm_dphi, in evaluateHybridSplineComplexToReal()
2170 __shared__ T* Ylm[BS]; in CalcYlmComplex() local
2286 __shared__ T* Ylm[BS]; in CalcYlmReal() local
3411 CalcYlm (Vec3 rhat, in CalcYlm()
[all …]
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| /dports/science/qmcpack/qmcpack-3.11.0/src/QMCHamiltonians/tests/ |
| H A D | soecp_eval_reference.cpp | 31 dcomp Ylm(int l, int m, const vec& sph) in Ylm() function
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| /dports/science/qmcpack/qmcpack-3.11.0/src/QMCWaveFunctions/BsplineFactory/ |
| H A D | HybridRepCenterOrbitals.h | 50 SoaSphericalTensor<ST> Ylm; variable
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| /dports/science/qwalk/mainline-1.0.1-300-g1b7e381/src/system/ |
| H A D | Pseudopotential_so.cpp | 78 dcomplex Ylm(int l, int ml, Array1 <doublevar> r){ in Ylm() function
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| /dports/science/qmcpack/qmcpack-3.11.0/src/QMCWaveFunctions/ |
| H A D | EinsplineSetCuda.cpp | 1886 std::vector<double> Ylm(numlm), dYlm_dtheta(numlm), dYlm_dphi(numlm); in evaluate() local
2379 std::vector<double> Ylm(numlm), dYlm_dtheta(numlm), dYlm_dphi(numlm); in evaluate() local
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/paw/paw_mult/ |
| H A D | paw_mult.F | 123 integer Gx(2),Gy(2),Gz(2),Ylm(2) local
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/paw/paw_mult/ |
| H A D | paw_mult.F | 123 integer Gx(2),Gy(2),Gz(2),Ylm(2) local
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