| /dports/science/qmcpack/qmcpack-3.11.0/src/QMCHamiltonians/tests/ |
| H A D | test_coulomb_CUDA.cpp | 82 ParticleSetPool ptcl = ParticleSetPool(c); variable
158 ParticleSetPool ptcl = ParticleSetPool(c); variable
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| H A D | test_coulomb_pbcAB.cpp | 85 ParticleSetPool ptcl = ParticleSetPool(c); variable
167 ParticleSetPool ptcl = ParticleSetPool(c); variable
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| H A D | test_coulomb_pbcAB_ewald.cpp | 84 ParticleSetPool ptcl = ParticleSetPool(c); variable
174 ParticleSetPool ptcl = ParticleSetPool(c); variable
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| H A D | test_bare_kinetic.cpp | 64 ParticleSetPool ptcl = ParticleSetPool(c); variable
165 ParticleSetPool ptcl = ParticleSetPool(c); variable
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| H A D | test_stress.cpp | 84 ParticleSetPool ptcl = ParticleSetPool(c); variable
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| H A D | test_force_ewald.cpp | 85 ParticleSetPool ptcl = ParticleSetPool(c); variable
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| H A D | test_ecp.cpp | 231 ParticleSetPool ptcl = ParticleSetPool(c); variable
489 ParticleSetPool ptcl = ParticleSetPool(c); variable
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| H A D | test_force.cpp | 84 ParticleSetPool ptcl = ParticleSetPool(c); variable
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| /dports/science/qmcpack/qmcpack-3.11.0/src/QMCHamiltonians/ |
| H A D | ChiesaCorrection.h | 29 …ChiesaCorrection(ParticleSet& ptcl, const TrialWaveFunction& psi) : psi_ref(psi), ptcl_ref(ptcl) {} in ChiesaCorrection()
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| H A D | MPC_CUDA.cpp | 27 MPC_CUDA::MPC_CUDA(ParticleSet& ptcl, double cutoff) in MPC_CUDA()
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| H A D | MPC.cpp | 30 void MPC::resetTargetParticleSet(ParticleSet& ptcl) {} in resetTargetParticleSet()
32 MPC::MPC(ParticleSet& ptcl, double cutoff) in MPC()
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| /dports/science/qmcpack/qmcpack-3.11.0/src/QMCWaveFunctions/tests/ |
| H A D | test_pw.cpp | 90 ParticleSetPool ptcl = ParticleSetPool(c); variable
237 ParticleSetPool ptcl = ParticleSetPool(c); variable
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| H A D | test_spo_collection_input_MSD_LCAO_h5.cpp | 66 ParticleSetPool ptcl = ParticleSetPool(c); in test_LiH_msd_xml_input() local
249 ParticleSetPool ptcl = ParticleSetPool(c); in test_LiH_msd_xml_input_with_positron() local
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| H A D | test_einset.cpp | 91 ParticleSetPool ptcl = ParticleSetPool(c); variable
294 ParticleSetPool ptcl = ParticleSetPool(c); variable
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| H A D | test_hybridrep.cpp | 88 ParticleSetPool ptcl = ParticleSetPool(c); variable
220 ParticleSetPool ptcl = ParticleSetPool(c); variable
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| H A D | test_wf.cpp | 82 ParticleSetPool ptcl = ParticleSetPool(c); variable
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| H A D | test_spo_collection_input_spline.cpp | 82 ParticleSetPool ptcl = ParticleSetPool(c); in test_diamond_2x1x1_xml_input() local
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| H A D | test_spo_collection_input_LCAO_xml.cpp | 59 ParticleSetPool ptcl = ParticleSetPool(c); in test_He_sto3g_xml_input() local
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| H A D | test_MO_spinor.cpp | 66 ParticleSetPool ptcl = ParticleSetPool(c); in test_lcao_spinor() local
245 ParticleSetPool ptcl = ParticleSetPool(c); in test_lcao_spinor_excited() local
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| H A D | test_multi_slater_determinant.cpp | 66 ParticleSetPool ptcl = ParticleSetPool(c); in test_LiH_msd() local
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| H A D | test_einset_spinor.cpp | 91 ParticleSetPool ptcl = ParticleSetPool(c); variable
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| H A D | test_TrialWaveFunction.cpp | 86 ParticleSetPool ptcl{c}; variable
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| H A D | test_TrialWaveFunction_diamondC_2x1x1.cpp | 92 ParticleSetPool ptcl{c}; in testTrialWaveFunction_diamondC_2x1x1() local
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| /dports/science/qmcpack/qmcpack-3.11.0/src/QMCWaveFunctions/ |
| H A D | TrialWaveFunction_CUDA.cpp | 269 for (int ptcl = 0; ptcl < grads.cols(); ptcl++) in gradLapl() local
352 for (int ptcl = 0; ptcl < fixedG.cols(); ptcl++) in evaluateDeltaLog() local
370 for (int ptcl = 0; ptcl < fixedG.cols(); ptcl++) in evaluateDeltaLog() local
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| /dports/science/qmcpack/qmcpack-3.11.0/src/QMCWaveFunctions/Jastrow/ |
| H A D | PolynomialFunctor3D.h | 365 for (int ptcl = 0; ptcl < Nptcl; ptcl++) in evaluateV() local
513 for (int ptcl = 0; ptcl < Nptcl; ptcl++) in evaluateVGL() local
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