| /dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/lib/cuda/ |
| H A D | pair_lj_cut_cuda_kernel_nc.cu | 24 …da_Eval(const F_FLOAT &rsq, const int ij_type, F_FLOAT &factor_lj, int &eflag, ENERGY_FLOAT &evdwl) in PairLJCutCuda_Eval()
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| H A D | pair_lj_class2_cuda_kernel_nc.cu | 24 …da_Eval(const F_FLOAT &rsq, const int ij_type, F_FLOAT &factor_lj, int &eflag, ENERGY_FLOAT &evdwl) in PairLJClass2Cuda_Eval()
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| H A D | pair_morse_cuda_kernel_nc.cu | 23 …da_Eval(const F_FLOAT &rsq, const int ij_type, F_FLOAT &factor_lj, int &eflag, ENERGY_FLOAT &evdwl) in PairMorseCuda_Eval()
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| H A D | pair_lj96_cut_cuda_kernel_nc.cu | 24 …da_Eval(const F_FLOAT &rsq, const int ij_type, F_FLOAT &factor_lj, int &eflag, ENERGY_FLOAT &evdwl) in PairLJ96CutCuda_Eval()
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| H A D | pair_born_coul_long_cuda_kernel_nc.cu | 23 …da_Eval(const F_FLOAT &rsq, const int ij_type, F_FLOAT &factor_lj, int &eflag, ENERGY_FLOAT &evdwl) in PairBornCuda_Eval()
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| H A D | pair_buck_cuda_kernel_nc.cu | 23 …da_Eval(const F_FLOAT &rsq, const int ij_type, F_FLOAT &factor_lj, int &eflag, ENERGY_FLOAT &evdwl) in PairBuckCuda_Eval()
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| H A D | pair_morse_coul_long_cuda_kernel_nc.cu | 23 …da_Eval(const F_FLOAT &rsq, const int ij_type, F_FLOAT &factor_lj, int &eflag, ENERGY_FLOAT &evdwl) in PairMorseR6Cuda_Eval()
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| H A D | pair_lj_expand_cuda_kernel_nc.cu | 23 …da_Eval(const F_FLOAT &rsq, const int ij_type, F_FLOAT &factor_lj, int &eflag, ENERGY_FLOAT &evdwl) in PairLJExpandCuda_Eval()
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| H A D | pair_lj_sdk_cuda_kernel_nc.cu | 24 …t F_FLOAT &rsq, const int ij_type, F_FLOAT &factor_lj, int &eflag, ENERGY_FLOAT &evdwl) //0.11 of … in PairLJSDKCuda_Eval()
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| H A D | pair_cg_cmm_cuda_kernel_nc.cu | 24 …t F_FLOAT &rsq, const int ij_type, F_FLOAT &factor_lj, int &eflag, ENERGY_FLOAT &evdwl) //0.11 of … in PairCGCMMCuda_Eval()
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| H A D | pair_lj_gromacs_cuda_kernel_nc.cu | 24 …da_Eval(const F_FLOAT &rsq, const int ij_type, F_FLOAT &factor_lj, int &eflag, ENERGY_FLOAT &evdwl) in PairLJGromacsCuda_Eval()
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| H A D | pair_lj_smooth_cuda_kernel_nc.cu | 24 …da_Eval(const F_FLOAT &rsq, const int ij_type, F_FLOAT &factor_lj, int &eflag, ENERGY_FLOAT &evdwl) in PairLJSmoothCuda_Eval()
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| H A D | pair_lj_charmm_coul_charmm_cuda_kernel_nc.cu | 23 …da_Eval(const F_FLOAT &rsq, const int ij_type, F_FLOAT &factor_lj, int &eflag, ENERGY_FLOAT &evdwl) in PairLJCharmmCuda_Eval()
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| H A D | cuda_pair_kernel.cu | 35 ENERGY_FLOAT evdwl = ENERGY_F(0.0); in Pair_Kernel_TpA() local
340 ENERGY_FLOAT evdwl = ENERGY_F(0.0); in Pair_Kernel_BpA() local
691 ENERGY_FLOAT evdwl = ENERGY_F(0.0); in Pair_Kernel_TpA_opt() local
1001 ENERGY_FLOAT evdwl = ENERGY_F(0.0); in Pair_Kernel_BpA_opt() local
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| /dports/science/lammps/lammps-stable_29Sep2021/src/TALLY/ |
| H A D | compute_pe_mol_tally.cpp | 91 void ComputePEMolTally::pair_tally_callback(int i, int j, int nlocal, int newton, double evdwl, in pair_tally_callback() argument
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| H A D | compute_pe_tally.cpp | 111 void ComputePETally::pair_tally_callback(int i, int j, int nlocal, int newton, double evdwl, in pair_tally_callback() argument
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| /dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/ |
| H A D | pair.cpp | 794 double evdwl, double ecoul, double fpair, in ev_tally()
886 void Pair::ev_tally_full(int i, double evdwl, double ecoul, double fpair, in ev_tally_full()
933 double evdwl, double ecoul, in ev_tally_xyz()
1027 void Pair::ev_tally_xyz_full(int i, double evdwl, double ecoul, in ev_tally_xyz_full()
1080 void Pair::ev_tally3(int i, int j, int k, double evdwl, double ecoul, in ev_tally3()
1136 void Pair::ev_tally4(int i, int j, int k, int m, double evdwl, in ev_tally4()
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| /dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/lib/gpu/ |
| H A D | lal_answer.cpp | 177 double evdwl=0.0; in energy_virial() local
220 double evdwl=0.0; in energy_virial() local
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| /dports/science/lammps/lammps-stable_29Sep2021/src/ |
| H A D | pair.cpp | 995 double evdwl, double ecoul, double fpair, in ev_tally()
1095 void Pair::ev_tally_full(int i, double evdwl, double ecoul, double fpair, in ev_tally_full()
1142 double evdwl, double ecoul, in ev_tally_xyz()
1236 void Pair::ev_tally_xyz_full(int i, double evdwl, double ecoul, in ev_tally_xyz_full()
1289 void Pair::ev_tally3(int i, int j, int k, double evdwl, double ecoul, in ev_tally3()
1345 void Pair::ev_tally4(int i, int j, int k, int m, double evdwl, in ev_tally4()
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| /dports/science/lammps/lammps-stable_29Sep2021/src/OPENMP/ |
| H A D | thr_omp.cpp | 470 const double evdwl, const double ecoul, ThrData * const thr) in e_tally_thr()
565 const int newton_pair, const double evdwl, const double ecoul, in ev_tally_thr()
605 const double evdwl, const double ecoul, in ev_tally_xyz_thr()
635 const double evdwl, const double ecoul, in ev_tally_xyz_full_thr()
665 const double evdwl, const double ecoul, in ev_tally3_thr()
709 const int k, const int m, const double evdwl, in ev_tally4_thr()
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| H A D | bond_quartic_omp.cpp | 90 double delx,dely,delz,ebond,fbond,evdwl,fpair; in eval() local
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| /dports/science/lammps/lammps-stable_29Sep2021/src/PYTHON/ |
| H A D | pair_python.cpp | 87 double xtmp,ytmp,ztmp,delx,dely,delz,evdwl,fpair; in compute() local
372 double evdwl = factor_lj*PyFloat_AsDouble(py_value); in single() local
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| /dports/science/lammps/lammps-stable_29Sep2021/src/KOKKOS/ |
| H A D | pair_sw_kokkos.cpp | 253 F_FLOAT evdwl = 0.0; in operator ()() local
387 F_FLOAT evdwl = 0.0; in operator ()() local
495 F_FLOAT evdwl = 0.0; in operator ()() local
872 const F_FLOAT &evdwl, const F_FLOAT &ecoul, in ev_tally3()
940 const F_FLOAT &evdwl, const F_FLOAT &ecoul, in ev_tally3_atom()
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| H A D | pair_vashishta_kokkos.cpp | 243 F_FLOAT evdwl = 0.0; in operator ()() local
373 F_FLOAT evdwl = 0.0; in operator ()() local
475 F_FLOAT evdwl = 0.0; in operator ()() local
851 const F_FLOAT &evdwl, const F_FLOAT &ecoul, in ev_tally3()
916 const F_FLOAT &evdwl, const F_FLOAT &ecoul, in ev_tally3_atom()
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| /dports/science/lammps/lammps-stable_29Sep2021/lib/gpu/ |
| H A D | lal_colloid.cu | 89 numtyp c1,c2,fR,evdwl; in k_colloid() local
256 numtyp c1,c2,fR,evdwl; in k_colloid_fast() local
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