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Searched refs:tauovermass (Results 1 – 8 of 8) sorted by relevance

/dports/science/qmcpack/qmcpack-3.11.0/src/QMCDrivers/VMC/
H A DSOVMCUpdatePbyP.cpp59 RealType tauovermass = Tau * MassInvS[ig]; in advanceWalker() local
60 RealType oneover2tau = 0.5 / (tauovermass); in advanceWalker()
61 RealType sqrttau = std::sqrt(tauovermass); in advanceWalker()
71 DriftModifier->getDrift(tauovermass, grad_now, dr); in advanceWalker()
72 DriftModifier->getDrift(tauovermass / spinMass, spingrad_now, ds); in advanceWalker()
74 ds += std::sqrt(tauovermass / spinMass) * deltaS[iat]; in advanceWalker()
79 ds = std::sqrt(tauovermass / spinMass) * deltaS[iat]; in advanceWalker()
93 DriftModifier->getDrift(tauovermass, grad_new, dr); in advanceWalker()
98 DriftModifier->getDrift(tauovermass / spinMass, spingrad_new, ds); in advanceWalker()
H A DVMCUpdatePbyP.cpp59 RealType tauovermass = Tau * MassInvS[ig]; in advanceWalker() local
60 RealType oneover2tau = 0.5 / (tauovermass); in advanceWalker()
61 RealType sqrttau = std::sqrt(tauovermass); in advanceWalker()
69 DriftModifier->getDrift(tauovermass, grad_now, dr); in advanceWalker()
87 DriftModifier->getDrift(tauovermass, grad_new, dr); in advanceWalker()
H A DVMCBatched.cpp87 RealType tauovermass = sft.qmcdrv_input.get_tau() * sft.population.get_ptclgrp_inv_mass()[ig]; in advanceWalkers() local
88 RealType oneover2tau = 0.5 / (tauovermass); in advanceWalkers()
89 RealType sqrttau = std::sqrt(tauovermass); in advanceWalkers()
105 sft.drift_modifier.getDrifts(tauovermass, grads_now, drifts); in advanceWalkers()
127 sft.drift_modifier.getDrifts(tauovermass, grads_new, drifts); in advanceWalkers()
/dports/science/qmcpack/qmcpack-3.11.0/src/QMCDrivers/DMC/
H A DSODMCUpdatePbyPFast.cpp74 RealType tauovermass = Tau * MassInvS[ig]; in advanceWalker() local
75 RealType oneover2tau = 0.5 / (tauovermass); in advanceWalker()
76 RealType sqrttau = std::sqrt(tauovermass); in advanceWalker()
85 DriftModifier->getDrift(tauovermass, grad_iat, dr); in advanceWalker()
86 DriftModifier->getDrift(tauovermass / spinMass, spingrad_iat, ds); in advanceWalker()
88 ds += std::sqrt(tauovermass / spinMass) * deltaS[iat]; in advanceWalker()
90 RealType rr = tauovermass * dot(deltaR[iat], deltaR[iat]); in advanceWalker()
112 DriftModifier->getDrift(tauovermass, grad_iat, dr); in advanceWalker()
113 DriftModifier->getDrift(tauovermass / spinMass, spingrad_iat, ds); in advanceWalker()
H A DDMCUpdatePbyPL2.cpp85 RealType tauovermass = Tau * MassInvS[ig]; in advanceWalker() local
86 RealType oneover2tau = 0.5 / (tauovermass); in advanceWalker()
87 RealType sqrttau = std::sqrt(tauovermass); in advanceWalker()
98 getScaledDrift(tauovermass, grad_iat, dr); in advanceWalker()
100 rr = tauovermass * dot(dr_diff, dr_diff); in advanceWalker()
129 getScaledDriftL2(tauovermass, grad_iat, D, K, dr); in advanceWalker()
132 rr = tauovermass * dot(dr_diff, dr_diff); in advanceWalker()
177 DriftModifier->getDrift(tauovermass, grad_iat, drtmp); in advanceWalker()
H A DDMCUpdatePbyPFast.cpp76 RealType tauovermass = Tau * MassInvS[ig]; in advanceWalker() local
77 RealType oneover2tau = 0.5 / (tauovermass); in advanceWalker()
78 RealType sqrttau = std::sqrt(tauovermass); in advanceWalker()
85 DriftModifier->getDrift(tauovermass, grad_iat, dr); in advanceWalker()
88 RealType rr = tauovermass * dot(deltaR[iat], deltaR[iat]); in advanceWalker()
109 DriftModifier->getDrift(tauovermass, grad_iat, dr); in advanceWalker()
H A DDMCBatched.cpp134 … RealType tauovermass = sft.qmcdrv_input.get_tau() * sft.population.get_ptclgrp_inv_mass()[ig]; in advanceWalkers() local
135 RealType oneover2tau = 0.5 / (tauovermass); in advanceWalkers()
136 RealType sqrttau = std::sqrt(tauovermass); in advanceWalkers()
159 sft.drift_modifier.getDrifts(tauovermass, grads_now, drifts); in advanceWalkers()
169 … [tauovermass](auto& delta_r) { return tauovermass * dot(delta_r, delta_r); }); in advanceWalkers()
210 sft.drift_modifier.getDrifts(tauovermass, grads_new, drifts); in advanceWalkers()
/dports/science/qmcpack/qmcpack-3.11.0/src/QMCDrivers/RMC/
H A DRMCUpdatePbyP.cpp146 RealType tauovermass = Tau * MassInvS[ig]; in advanceWalkersVMC() local
147 RealType oneover2tau = 0.5 / (tauovermass); in advanceWalkersVMC()
148 RealType sqrttau = std::sqrt(tauovermass); in advanceWalkersVMC()
154 DriftModifier->getDrift(tauovermass, grad_iat, dr); in advanceWalkersVMC()
157 RealType rr = tauovermass * dot(deltaR[iat], deltaR[iat]); in advanceWalkersVMC()
178 DriftModifier->getDrift(tauovermass, grad_iat, dr); in advanceWalkersVMC()
277 RealType tauovermass = Tau * MassInvS[ig]; in advanceWalkersRMC() local
278 RealType oneover2tau = 0.5 / (tauovermass); in advanceWalkersRMC()
279 RealType sqrttau = std::sqrt(tauovermass); in advanceWalkersRMC()
285 DriftModifier->getDrift(tauovermass, grad_iat, dr); in advanceWalkersRMC()
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