/dports/math/jags/JAGS-4.3.0/src/modules/glm/samplers/ |
H A D | SampleWishart.cc | 91 double *Z_j = &Z[j*nrow]; //jth column of Z in sampleWishart() local 93 Z_j[i] = rnorm(0, 1, rng); in sampleWishart() 95 Z_j[j] = sqrt(rchisq(df - j, rng)); in sampleWishart() 97 Z_j[i] = 0; in sampleWishart()
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H A D | ScaledWishart.cc | 91 double *Z_j = &Z[j*nrow]; //jth column of Z in sampleWishart() local 93 Z_j[i] = rnorm(0, 1, rng); in sampleWishart() 95 Z_j[j] = sqrt(rchisq(k - j, rng)); in sampleWishart() 97 Z_j[i] = 0; in sampleWishart()
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/dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/Tersoff_LAMMPS__MD_077075034781_004/ |
H A D | pair_tersoff_zbl.cpp | 91 double Z_i, Z_j; // Equivalent for these. in read_params() local 110 >> Z_j in read_params() 159 kim_params_zbl.Z_j(i,j) = Z_j; in read_params() 193 if (kim_params_zbl.Z_j(i,j) < 1) in prepare_params() 211 + pow(kim_params_zbl.Z_j(i,j), 0.23)); in prepare_params() 213 (kim_params_zbl.Z_i(i,j) * kim_params_zbl.Z_j(i,j) * global_e_sq) in prepare_params() 255 outfile << kim_params_zbl.Z_j(i,j) << " "; in write_params()
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H A D | pair_tersoff_zbl.hpp | 53 : Z_i(N,N), Z_j(N,N), in KIMParamsZBL() 75 Array2D<double> Z_i, Z_j; member
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/dports/science/lammps/lammps-stable_29Sep2021/src/GPU/ |
H A D | pair_tersoff_zbl_gpu.cpp | 165 double *beta, *powern, *Z_i, *Z_j, *ZBLcut, *ZBLexpscale, *_cutsq; in init_style() local 170 beta = powern = Z_i = Z_j = ZBLcut = ZBLexpscale = _cutsq = nullptr; in init_style() 191 memory->create(Z_j,nparams,"pair:Z_j"); in init_style() 216 Z_j[i] = params[i].Z_j; in init_style() 229 beta, powern, Z_i, Z_j, ZBLcut, ZBLexpscale, in init_style() 251 memory->destroy(Z_j); in init_style()
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/dports/science/lammps/lammps-stable_29Sep2021/doc/src/ |
H A D | pair_zbl.rst | 42 … E^{ZBL}_{ij} & = \frac{1}{4\pi\epsilon_0} \frac{Z_i Z_j \,e^2}{r_{ij}} \phi(r_{ij}/a)+ S(r_{ij})\\ 47 permittivity of vacuum, and :math:`Z_i` and :math:`Z_j` are the nuclear 59 * :math:`Z_j` (ditto for second atom type) 61 The values of :math:`Z_i` and :math:`Z_j` are normally equal to the atomic 65 Note that when :math:`i==i` it is required that :math:`Z_i == Z_j`. 92 :math:`Z_j` coefficients 93 can be mixed by taking :math:`Z_i` and :math:`Z_j` from the values
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/dports/math/jags/JAGS-4.3.0/src/modules/bugs/distributions/ |
H A D | DWish.cc | 105 double *Z_j = &Z[j*nrow]; //jth column of Z in randomSample() local 107 Z_j[i] = rnorm(0, 1, rng); in randomSample() 109 Z_j[j] = sqrt(rchisq(k - j, rng)); in randomSample() 111 Z_j[i] = 0; in randomSample()
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/dports/science/openkim-models/openkim-models-2021-01-28/simulator-models/Sim_LAMMPS_TersoffZBL_HenrikssonBjorkasNordlund_2013_FeC__SM_473463498269_000/ |
H A D | FeC_Henriksson_2013.tersoff.zbl | 13 # Z_i,Z_j=charge of i,jth nuclei from Coulomb potential 20 # A,B = eV; lambda1,lambda2,lambda3 = 1/Angstroms; R,D = Angstroms; Z_i,Z_j=electron charge; ZBLc… 28 # Z_i, Z_j, ZBLcut, ZBLexpscale
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/dports/science/openkim-models/openkim-models-2021-01-28/simulator-models/Sim_LAMMPS_TersoffZBL_ByggmastarGranberg_2020_Fe__SM_958863895234_000/ |
H A D | Fe_Byggmastar.tersoff.zbl | 7 # Z_i, Z_j = electron charge units 10 … lambda2 B R D lambda1 A Z_i Z_j ZBLcut ZBLexpscale
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/dports/science/lammps/lammps-stable_29Sep2021/potentials/ |
H A D | SiC.tersoff.zbl | 6 # A,B = eV; lambda1,lambda2,lambda3 = 1/Angstroms; R,D, ZBLcut = Angstroms; Z_i, Z_j = electron c… 9 # Z_i, Z_j are the charges of the i,j th nuclei from the coulomb potential 17 # m, gamma, lambda3, c, d, h, n, beta, lambda2, X_ij*B, R, D, lambda1, A, Z_i, Z_j, ZBLcut, ZBLex…
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H A D | SiC.gw.zbl | 10 #E1 E2 E3 m gamma lambda3 c d h n beta lambda2 B R D lambda1 A Z_i, Z_j, ZBLcut, ZBLexpscale
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/dports/science/openkim-models/openkim-models-2021-01-28/simulator-models/Sim_LAMMPS_TersoffZBL_DevanathanDiazdelaRubiaWeber_1998_SiC__SM_578912636995_000/ |
H A D | SiC.tersoff.zbl | 6 # A,B = eV; lambda1,lambda2,lambda3 = 1/Angstroms; R,D, ZBLcut = Angstroms; Z_i, Z_j = electron c… 9 # Z_i, Z_j are the charges of the i,j th nuclei from the coulomb potential 17 # m, gamma, lambda3, c, d, h, n, beta, lambda2, X_ij*B, R, D, lambda1, A, Z_i, Z_j, ZBLcut, ZBLex…
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/dports/science/openkim-models/openkim-models-2021-01-28/simulator-models/Sim_LAMMPS_ModifiedTersoff_ByggmastarHodilleFerro_2018_BeO__SM_305223021383_000/ |
H A D | Be-O.tersoff.zbl | 9 # Z_i, Z_j = electron charge units 12 … lambda2 B R D lambda1 A Z_i Z_j ZBLcut ZBLexpscale
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/dports/science/lammps/lammps-stable_29Sep2021/src/OPENMP/ |
H A D | pair_tersoff_zbl_omp.cpp | 153 params[nparams].Z_j = values.next_double(); in read_file() 183 params[nparams].Z_j < 1.0 || in read_file() 249 (pow(param->Z_i,0.23) + pow(param->Z_j,0.23)); in repulsive() 250 double premult = (param->Z_i * param->Z_j * esq)/(4.0*MY_PI*global_epsilon_0); in repulsive()
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/dports/science/lammps/lammps-stable_29Sep2021/src/MANYBODY/ |
H A D | pair_gw_zbl.cpp | 133 params[nparams].Z_j = values.next_double(); in read_file() 158 params[nparams].Z_i < 1.0 || params[nparams].Z_j < 1.0 || in read_file() 196 (pow(param->Z_i,0.23) + pow(param->Z_j,0.23)); in repulsive() 197 double premult = (param->Z_i * param->Z_j * esq)/(4.0*MY_PI*global_epsilon_0); in repulsive()
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H A D | pair_tersoff_zbl.cpp | 135 params[nparams].Z_j = values.next_double(); in read_file() 165 params[nparams].Z_j < 1.0 || in read_file() 204 (pow(param->Z_i,0.23) + pow(param->Z_j,0.23)); in repulsive() 205 double premult = (param->Z_i * param->Z_j * esq)/(4.0*MY_PI*global_epsilon_0); in repulsive()
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/dports/science/R-cran-DCluster/DCluster/man/ |
H A D | gearyc.Rd | 13 c=\frac{(n-1)\sum_i \sum_j W_{ij}(Z_i-Z_j)^2}{2(\sum_i\sum_jW_{ij})\sum_k (Z_k-\overline{Z})^2} 15 c = (n-1) [sum_i sum_j W_ij (Z_i-Z_j)^2]/[2(sum_i sum_j W_ij) sum_k (Z_k-mean({Z))^2}
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H A D | moranI.Rd | 13 I=\frac{n\sum_i\sum_j W_{ij}(Z_i-\overline{Z})(Z_j-\overline{Z})}{2(\sum_i\sum_jW_{ij})\sum_k (Z_k-… 15 I= n * [sum_i ( sum_j W_ij(Z_i-mean(Z))*(Z_j-mean(Z))]/[2 * (sum_i sum_j W_ij) * sum_k (Z_k-mean(Z)…
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/dports/science/simbody/simbody-Simbody-3.7/SimTKmath/Optimizers/src/IpOpt/ |
H A D | IpCompoundMatrix.cpp | 260 SmartPtr<const Vector> Z_j; in AddMSinvZImpl() local 262 Z_j = comp_Z->GetComp(jcol); in AddMSinvZImpl() 265 Z_j = &Z; in AddMSinvZImpl() 267 DBG_ASSERT(IsValid(Z_j)); in AddMSinvZImpl() 269 ConstComp(jcol, irow)->AddMSinvZ(alpha, *S_j, *Z_j, *X_i); in AddMSinvZImpl()
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/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/doc/Eqs/ |
H A D | eff_NN.tex | 6 E_{NN} = \frac{1}{{4\pi \varepsilon _0 }}\sum\limits_{i < j} {\frac{{Z_i Z_j }}{{R_{ij} }}}
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H A D | pair_zbl.tex | 6 …E^{ZBL}_{ij} & = & \frac{1}{4\pi\epsilon_0} \frac{Z_i Z_j \,e^2}{r_{ij}} \phi(r_{ij}/a)+ S(r_{ij})…
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/dports/science/py-lifelines/lifelines-0.19.5/lifelines/ |
H A D | statistics.py | 500 Z_j = N_j - ev 502 assert abs(Z_j.sum()) < 10e-8, "Sum is not zero." # this should move to a test eventually. 514 U = Z_j.iloc[:-1].dot(np.linalg.pinv(V[:-1, :-1])).dot(Z_j.iloc[:-1]) # Z.T*inv(V)*Z
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/dports/math/ipopt/Ipopt-3.12.13/Ipopt/src/LinAlg/ |
H A D | IpCompoundMatrix.cpp | 296 SmartPtr<const Vector> Z_j; in AddMSinvZImpl() local 298 Z_j = comp_Z->GetComp(jcol); in AddMSinvZImpl() 301 Z_j = &Z; in AddMSinvZImpl() 303 DBG_ASSERT(IsValid(Z_j)); in AddMSinvZImpl() 305 ConstComp(irow, jcol)->AddMSinvZ(alpha, *S_j, *Z_j, *X_i); in AddMSinvZImpl()
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/dports/science/lammps/lammps-stable_29Sep2021/src/KOKKOS/ |
H A D | pair_tersoff_zbl_kokkos.h | 156 … bigr=0;bigd=0;lam1=0;biga=0;cutsq=0;c1=0;c2=0;c3=0;c4=0;Z_i=0;Z_j=0;ZBLcut=0;ZBLexpscale=0;}; in params_ters() 159 … bigr=0;bigd=0;lam1=0;biga=0;cutsq=0;c1=0;c2=0;c3=0;c4=0;Z_i=0;Z_j=0;ZBLcut=0;ZBLexpscale=0;}; in params_ters() 161 bigd, lam1, biga, cutsq, c1, c2, c3, c4, Z_i, Z_j, ZBLcut, ZBLexpscale; member
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/dports/science/lammps/lammps-stable_29Sep2021/lib/gpu/ |
H A D | lal_tersoff_zbl.h | 48 const double* powern, const double* Z_i, const double* Z_j,
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