Searched refs:massinv (Results 1 – 4 of 4) sorted by relevance
| /dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/ |
| H A D | fix_dt_reset.cpp | 166 double vsq,fsq,massinv; in end_of_step() local
183 if (rmass) massinv = 1.0/rmass[i]; in end_of_step()
184 else massinv = 1.0/mass[type[i]]; in end_of_step()
189 if (fsq > 0.0) dtf = sqrt(2.0*xmax/(ftm2v*sqrt(fsq)*massinv)); in end_of_step()
192 delx = dt*v[i][0] + 0.5*dtsq*massinv*f[i][0] * ftm2v; in end_of_step()
193 dely = dt*v[i][1] + 0.5*dtsq*massinv*f[i][1] * ftm2v; in end_of_step()
194 delz = dt*v[i][2] + 0.5*dtsq*massinv*f[i][2] * ftm2v; in end_of_step()
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| /dports/science/lammps/lammps-stable_29Sep2021/src/ |
| H A D | fix_dt_reset.cpp | 149 double vsq, fsq, massinv; in end_of_step() local
165 massinv = 1.0 / rmass[i]; in end_of_step()
167 massinv = 1.0 / mass[type[i]]; in end_of_step()
172 if (fsq > 0.0) dtf = sqrt(2.0 * xmax / (ftm2v * sqrt(fsq) * massinv)); in end_of_step()
179 delx = dt * v[i][0] + 0.5 * dtsq * massinv * f[i][0] * ftm2v; in end_of_step()
180 dely = dt * v[i][1] + 0.5 * dtsq * massinv * f[i][1] * ftm2v; in end_of_step()
181 delz = dt * v[i][2] + 0.5 * dtsq * massinv * f[i][2] * ftm2v; in end_of_step()
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| /dports/science/qmcpack/qmcpack-3.11.0/src/QMCDrivers/tests/ |
| H A D | test_drift.cpp | 36 std::vector<ParticleSet::RealType> massinv(1, 1. / mass); variable
49 setScaledDriftPbyPandNodeCorr(tau, massinv, elec.G, drift);
76 std::vector<ParticleSet::RealType> massinv(1, 1. / mass); variable
90 setScaledDriftPbyPandNodeCorr(tau, massinv, elec.G, drift);
115 std::vector<ParticleSet::RealType> massinv(1, 1. / mass); variable
153 std::vector<ParticleSet::RealType> massinv(1, 1. / mass); variable
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| /dports/science/qmcpack/qmcpack-3.11.0/src/QMCDrivers/ |
| H A D | DriftOperators.h | 132 const std::vector<T>& massinv, in setScaledDriftPbyPandNodeCorr() argument
138 for (int iat = 0; iat < massinv.size(); ++iat) in setScaledDriftPbyPandNodeCorr()
141 T tau_over_mass = tau_au * massinv[iat]; in setScaledDriftPbyPandNodeCorr()
220 const std::vector<T>& massinv, in assignDrift() argument
224 for (int iat = 0; iat < massinv.size(); ++iat) in assignDrift()
226 T tau_over_mass = tau_au * massinv[iat]; in assignDrift()
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