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Searched refs:my_energy (Results 1 – 10 of 10) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dbsse.F174 REAL(KIND=dp) :: my_energy local
185 my_energy = 0.0_dp
205 my_energy = my_energy + (-1.0_dp)**(k + j)*Em_loc(i)
207 Em = my_energy
H A Dmulliken.F85 REAL(kind=dp) :: mult, my_energy, my_order_p local
103 charges, charges_deriv, my_energy, my_order_p)
109 energy = my_energy
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dbsse.F174 REAL(KIND=dp) :: my_energy local
185 my_energy = 0.0_dp
205 my_energy = my_energy + (-1.0_dp)**(k + j)*Em_loc(i)
207 Em = my_energy
H A Dmulliken.F85 REAL(kind=dp) :: mult, my_energy, my_order_p local
103 charges, charges_deriv, my_energy, my_order_p)
109 energy = my_energy
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/
H A Dhelium_interactions.F445 REAL(KIND=dp) :: my_energy local
459 energy=my_energy, force=helium%rtmp_p_ndim_2d)
460 energy = energy + my_energy
486 REAL(KIND=dp) :: my_energy local
492 CALL helium_bead_solute_e_f(pint_env, helium, ia, ib, energy=my_energy)
493 energy = energy + my_energy
H A Dhelium_io.F487 REAL(KIND=dp), DIMENSION(:), POINTER :: my_energy local
529 my_energy => helium_env(1)%helium%energy_avrg
554 my_energy(e_id_potential), &
555 my_energy(e_id_kinetic), &
556 my_energy(e_id_thermo), &
557 my_energy(e_id_virial), &
558 my_energy(e_id_interact), &
559 my_energy(e_id_total)
/dports/science/cp2k-data/cp2k-7.1.0/src/motion/
H A Dhelium_interactions.F445 REAL(KIND=dp) :: my_energy local
459 energy=my_energy, force=helium%rtmp_p_ndim_2d)
460 energy = energy + my_energy
486 REAL(KIND=dp) :: my_energy local
492 CALL helium_bead_solute_e_f(pint_env, helium, ia, ib, energy=my_energy)
493 energy = energy + my_energy
H A Dhelium_io.F487 REAL(KIND=dp), DIMENSION(:), POINTER :: my_energy local
529 my_energy => helium_env(1)%helium%energy_avrg
554 my_energy(e_id_potential), &
555 my_energy(e_id_kinetic), &
556 my_energy(e_id_thermo), &
557 my_energy(e_id_virial), &
558 my_energy(e_id_interact), &
559 my_energy(e_id_total)
/dports/science/lammps/lammps-stable_29Sep2021/src/KOKKOS/
H A Dfix_langevin_kokkos.cpp769 double my_energy = 0.0; in compute_energy_item() local
771 my_energy = d_flangevin(i,0)*v(i,0) + d_flangevin(i,1)*v(i,1) + in compute_energy_item()
773 return my_energy; in compute_energy_item()
/dports/biology/avida/avida-2.12.4-src/avida-core/source/cpu/
H A DcHardwareCPU.cc7163 const double my_energy = m_organism->GetPhenotype().GetStoredEnergy(); in Inst_IfFacedEnergyLess() local
7166 if (neighbor_energy >= (my_energy * (1 - epsilon))) { in Inst_IfFacedEnergyLess()
7188 const double my_energy = m_organism->GetPhenotype().GetStoredEnergy(); in Inst_IfFacedEnergyMore() local
7191 if (neighbor_energy <= (my_energy * (1 + epsilon))) { in Inst_IfFacedEnergyMore()