Searched refs:my_energy (Results 1 – 10 of 10) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | bsse.F | 174 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
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H A D | mulliken.F | 85 REAL(kind=dp) :: mult, my_energy, my_order_p local 103 charges, charges_deriv, my_energy, my_order_p) 109 energy = my_energy
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | bsse.F | 174 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
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H A D | mulliken.F | 85 REAL(kind=dp) :: mult, my_energy, my_order_p local 103 charges, charges_deriv, my_energy, my_order_p) 109 energy = my_energy
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/ |
H A D | helium_interactions.F | 445 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
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H A D | helium_io.F | 487 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)
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/dports/science/cp2k-data/cp2k-7.1.0/src/motion/ |
H A D | helium_interactions.F | 445 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
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H A D | helium_io.F | 487 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)
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/dports/science/lammps/lammps-stable_29Sep2021/src/KOKKOS/ |
H A D | fix_langevin_kokkos.cpp | 769 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()
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/dports/biology/avida/avida-2.12.4-src/avida-core/source/cpu/ |
H A D | cHardwareCPU.cc | 7163 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()
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