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Searched refs:ptcl1 (Results 1 – 4 of 4) sorted by relevance

/dports/science/qmcpack/qmcpack-3.11.0/src/QMCWaveFunctions/Jastrow/
H A DTwoBodyJastrowOrbitalBspline.cpp220 for (int ptcl1 = first1; ptcl1 < last1; ptcl1++) in ratio() local
222 PosType disp = walkers[iw]->R[ptcl1] - walkers[iw]->R[iat]; in ratio()
225 disp = walkers[iw]->R[ptcl1] - new_pos[iw]; in ratio()
339 for (int ptcl1 = first1; ptcl1 < last1; ptcl1++) in calcRatio() local
344 disp = walkers[iw]->R[ptcl1] - new_pos[iw]; in calcRatio()
627 for (int ptcl1 = first1; ptcl1 <= last1; ptcl1++) in gradLapl() local
639 if (ptcl1 != ptcl2) in gradLapl()
651 CPU_GradLapl[ptcl1 * 4 + 0] = grad[0]; in gradLapl()
652 CPU_GradLapl[ptcl1 * 4 + 1] = grad[1]; in gradLapl()
653 CPU_GradLapl[ptcl1 * 4 + 2] = grad[2]; in gradLapl()
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/dports/science/qmcpack/qmcpack-3.11.0/src/QMCWaveFunctions/detail/CUDA_legacy/
H A DBsplineJastrowCudaPBC.cu644 if (ptcl1 != ptcl2 && (ptcl1 < (N1 + e1_first)) && (ptcl2 < (N2 + e2_first))) in two_body_sum_PBC_kernel()
799 if (ptcl1 != inew && (ptcl1 < (N + first))) in two_body_ratio_PBC_kernel()
945 if ((ptcl1 != inew) && (ptcl1 < (N + first))) in two_body_ratio_grad_PBC_kernel()
1061 if (ptcl1 != inew && (ptcl1 < (N + first))) in two_body_ratio_grad_PBC_kernel_fast()
1305 if ((ptcl1 != myJob.Elec) && (ptcl1 < (N + first))) in two_body_NLratio_PBC_kernel()
1319 if ((ptcl1 != myJob.Elec) && (ptcl1 < (N + first))) in two_body_NLratio_PBC_kernel()
1604 if (ptcl1 != ptcl2 && ptcl1 < (N1 + e1_first)) in two_body_grad_lapl_PBC_kernel()
1883 if (ptcl1 != iat && ptcl1 < (N + first)) in two_body_grad_PBC_kernel()
1978 if (ptcl1 != iat && ptcl1 < (N + first)) in two_body_grad_PBC_kernel_fast()
2202 if (tid == id && ptcl1 != ptcl2 && ptcl1 <= e1_last && (dist < rMax)) in two_body_derivs_PBC_kernel()
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H A DBsplineJastrowCuda.cu187 if (ptcl1 != ptcl2 && (ptcl1 < (N1 + e1_first)) && (ptcl2 < (N2 + e2_first))) in two_body_sum_kernel()
312 if (ptcl1 != inew && (ptcl1 < (N + first))) in two_body_ratio_kernel()
443 if (ptcl1 != inew && (ptcl1 < (N + first))) in two_body_ratio_grad_kernel()
578 if (ptcl1 != myJob.Elec && (ptcl1 < (N + first))) in two_body_NLratio_kernel()
677 if (ptcl1 != myJob.Elec && (ptcl1 < (N + first))) in two_body_NLratio_kernel()
810 if (ptcl1 != ptcl2 && (ptcl1 < (N1 + e1_first)) && (ptcl2 < (N2 + e2_first))) in two_body_grad_lapl_kernel()
940 if (ptcl1 != iat && ptcl1 < (N + first)) in two_body_grad_kernel()
1101 if (tid == id && ptcl1 != ptcl2 && ptcl1 <= e1_last && (d < rMax)) in two_body_derivs_kernel()
1124 if (tid == id && ptcl1 != ptcl2 && ptcl1 <= e1_last && (d < rMax)) in two_body_derivs_kernel()
1415 if (ptcl1 < (Nc + cfirst)) in one_body_ratio_kernel()
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/dports/science/qmcpack/qmcpack-3.11.0/src/QMCHamiltonians/
H A DCudaCoulomb.cu288 int ptcl1 = b * BS + tid; in coulomb_AA_PBC_kernel() local
289 if (ptcl1 < N) in coulomb_AA_PBC_kernel()
300 if (ptcl1 != ptcl2) in coulomb_AA_PBC_kernel()
321 if (ptcl1 < N) in coulomb_AA_PBC_kernel()
376 int ptcl1 = b * BS + tid; in coulomb_AA_kernel() local
377 if (ptcl1 < N) in coulomb_AA_kernel()
388 if (ptcl1 != ptcl2) in coulomb_AA_kernel()
405 if (ptcl1 < N) in coulomb_AA_kernel()
537 if (ptcl1 < N) in MPC_SR_kernel()
548 if (ptcl1 != ptcl2) in MPC_SR_kernel()
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