/dports/science/helfem/HelFEM-21461e9/src/legendre/ |
H A D | Legendre_Wrapper.f90 | 72 subroutine calculate_Qlm_array(Qlm,xi) argument 81 l_max = size(Qlm,1)-1 84 m_max = size(Qlm,2)-1 89 Qlm(1:size(Qlm,1),:) = Leg%I_LM%F(0:size(Qlm,1)-1,:) 128 allocate(Qlm(0:l,0:m)) 129 call calculate_Qlm_array(Qlm,xi) 130 I=Qlm(l,m) 131 deallocate(Qlm) 181 allocate(Qlm(0:lmax,0:mmax)) 182 call calculate_Qlm_array(Qlm,xi) [all …]
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H A D | legendre_test.cpp | 20 arma::mat Qlm(lmax+1,mmax+1); in get_Qlm() local 21 calc_Qlm_arr(Qlm.memptr(),lmax,mmax,xi); in get_Qlm() 22 return Qlm; in get_Qlm() 67 arma::mat Qlm(get_Qlm(Lmax+lpad,Lmax+lpad,cosh(mumax))); in main() local 72 double leg = Plm(L, std::abs(M)) * Qlm(L, std::abs(M)); in main()
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H A D | Legendre_Wrapper.h | 65 void calc_Qlm_arr(double *Qlm, int lmax, int mmax, double xi);
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/utilities/paw_utilities/ |
H A D | nwpw_compcharge2.F | 59 call dcopy(2*lm_size_max,0.0d0,0,dbl_mb(Qlm(1)+indx),1) 79 dbl_mb(Qlm(1)+indx1) = dbl_mb(Qlm(1)+indx1) + coeff*w 82 call D1dB_Vector_SumAll(2*lm_size_max,dbl_mb(Qlm(1)+indx)) 180 > lmsize_max,Qlm, 202 W = W + (Qlm(lm,1)+Qlm(lm,ispin))*vcmp*wdensity(iprj,jprj,ms) 216 real*8 function nwpw_compcharge_Watom3_sub(ispin,lmsize_max,Qlm, 233 W = W + 0.5d0*vg*(Qlm(lm,1)+Qlm(lm,ispin))
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H A D | nwpw_compcharge.F | 197 > "Qlm",Qlm(2),Qlm(1)) 2224 q = dbl_mb(Qlm(1)+indx1) + dbl_mb(Qlm(1)+indx2) 2260 q = dbl_mb(Qlm(1)+indx1) + dbl_mb(Qlm(1)+indx2) 2347 q = dbl_mb(Qlm(1)+indx1) + dbl_mb(Qlm(1)+indx2) 2386 q = dbl_mb(Qlm(1)+indx1) + dbl_mb(Qlm(1)+indx2) 2474 q = dbl_mb(Qlm(1)+indx1) + dbl_mb(Qlm(1)+indx2) 2511 q = dbl_mb(Qlm(1)+indx1) + dbl_mb(Qlm(1)+indx2) 4008 q1 = dbl_mb(Qlm(1)+indx1up) + dbl_mb(Qlm(1)+indx1dn) 4009 q2 = dbl_mb(Qlm(1)+indx2up) + dbl_mb(Qlm(1)+indx2dn) 4088 q1 = dbl_mb(Qlm(1)+indx1up) + dbl_mb(Qlm(1)+indx1dn) [all …]
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H A D | nwpw_compcharge.fh | 28 … integer Qlm(2) ! Qlm(lm=1:(mult_l+1)**2,2,1:nion_paw) = compensation charge coefficients 43 common / nwpw_compcharge_block / vk_smooth,gk_smooth,gk,glm,Qlm,
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/utilities/paw_utilities/ |
H A D | nwpw_compcharge2.F | 59 call dcopy(2*lm_size_max,0.0d0,0,dbl_mb(Qlm(1)+indx),1) 79 dbl_mb(Qlm(1)+indx1) = dbl_mb(Qlm(1)+indx1) + coeff*w 82 call D1dB_Vector_SumAll(2*lm_size_max,dbl_mb(Qlm(1)+indx)) 180 > lmsize_max,Qlm, 202 W = W + (Qlm(lm,1)+Qlm(lm,ispin))*vcmp*wdensity(iprj,jprj,ms) 216 real*8 function nwpw_compcharge_Watom3_sub(ispin,lmsize_max,Qlm, 233 W = W + 0.5d0*vg*(Qlm(lm,1)+Qlm(lm,ispin))
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H A D | nwpw_compcharge.F | 197 > "Qlm",Qlm(2),Qlm(1)) 2224 q = dbl_mb(Qlm(1)+indx1) + dbl_mb(Qlm(1)+indx2) 2260 q = dbl_mb(Qlm(1)+indx1) + dbl_mb(Qlm(1)+indx2) 2347 q = dbl_mb(Qlm(1)+indx1) + dbl_mb(Qlm(1)+indx2) 2386 q = dbl_mb(Qlm(1)+indx1) + dbl_mb(Qlm(1)+indx2) 3827 q1 = dbl_mb(Qlm(1)+indx1up) + dbl_mb(Qlm(1)+indx1dn) 3828 q2 = dbl_mb(Qlm(1)+indx2up) + dbl_mb(Qlm(1)+indx2dn) 3906 q1 = dbl_mb(Qlm(1)+indx1up) + dbl_mb(Qlm(1)+indx1dn) 3907 q2 = dbl_mb(Qlm(1)+indx2up) + dbl_mb(Qlm(1)+indx2dn) 4101 q1 = dbl_mb(Qlm(1)+indx1up) + dbl_mb(Qlm(1)+indx1dn) [all …]
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H A D | nwpw_compcharge.fh | 28 … integer Qlm(2) ! Qlm(lm=1:(mult_l+1)**2,2,1:nion_paw) = compensation charge coefficients 43 common / nwpw_compcharge_block / vk_smooth,gk_smooth,gk,glm,Qlm,
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/dports/science/helfem/HelFEM-21461e9/src/general/ |
H A D | legendretable.cpp | 70 entry.Qlm.zeros(Lpad+1,Lpad+1); in compute() 75 ::calc_Qlm_arr(entry.Qlm.memptr(),Lpad,Lpad,xi); in compute() 80 entry.Qlm=entry.Qlm.submat(0,0,Lmax,Mmax); in compute() 87 if(!std::isnormal(entry.Qlm(L,M))) in compute() 88 entry.Qlm(L,M)=0.0; in compute() 118 return stor[get_index(xi)].Qlm(l,m); in get_Qlm()
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H A D | legendretable.h | 30 arma::mat Qlm; member
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | qs_rho0_ggrid.F | 361 REAL(dp), DIMENSION(:), POINTER :: hab_sph, norm_l, Qlm local 561 NULLIFY (Qlm) 562 CALL get_rho0_mpole(rho0_mpole=rho0_mpole, iat=iatom, Qlm_tot=Qlm) 674 force_tmp(1) = force_tmp(1) + Qlm(iso)*hdab_sph(1, iso) 675 force_tmp(2) = force_tmp(2) + Qlm(iso)*hdab_sph(2, iso) 676 force_tmp(3) = force_tmp(3) + Qlm(iso)*hdab_sph(3, iso) 685 … virial%pv_virial(i, ii) = virial%pv_virial(i, ii) + Qlm(iso)*a_hdab_sph(i, ii, iso)
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | qs_rho0_ggrid.F | 376 REAL(dp), DIMENSION(:), POINTER :: hab_sph, norm_l, Qlm local 573 NULLIFY (Qlm) 574 CALL get_rho0_mpole(rho0_mpole=rho0_mpole, iat=iatom, Qlm_tot=Qlm) 687 force_tmp(1) = force_tmp(1) + Qlm(iso)*hdab_sph(1, iso) 688 force_tmp(2) = force_tmp(2) + Qlm(iso)*hdab_sph(2, iso) 689 force_tmp(3) = force_tmp(3) + Qlm(iso)*hdab_sph(3, iso) 698 … virial%pv_virial(i, ii) = virial%pv_virial(i, ii) + Qlm(iso)*a_hdab_sph(i, ii, iso)
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/dports/biology/bbmap/bbmap/resources/ |
H A D | blacklist_refseq_merged.sketch | 4244 2OI:Qlm
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H A D | blacklist_nt_merged.sketch | 50769 38Qlm?6h
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/dports/security/hashcat-legacy/hashcat-legacy-2.00/salts/ |
H A D | brute-vbulletin.salt | 449523 Qlm
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