| /dports/science/lammps/lammps-stable_29Sep2021/src/ |
| H A D | bond_hybrid.cpp | 37 nbondlist = nullptr; in BondHybrid()
56 delete[] nbondlist; in ~BondHybrid()
83 if (m >= 0) nbondlist[m]++; in compute()
86 if (nbondlist[m] > maxbond[m]) { in compute()
91 nbondlist[m] = 0; in compute()
96 n = nbondlist[m]; in compute()
100 nbondlist[m]++; in compute()
121 neighbor->nbondlist = nbondlist[m]; in compute()
146 neighbor->nbondlist = nbondlist_orig; in compute()
161 nbondlist = new int[nstyles]; in allocate()
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| H A D | ntopo_bond_all.cpp | 53 nbondlist = 0; in build()
68 if (nbondlist == maxbond) { in build()
72 bondlist[nbondlist][0] = i; in build()
73 bondlist[nbondlist][1] = atom1; in build()
74 bondlist[nbondlist][2] = bond_type[i][m]; in build()
75 nbondlist++; in build()
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| H A D | ntopo_bond_partial.cpp | 53 nbondlist = 0; in build()
69 if (nbondlist == maxbond) { in build()
73 bondlist[nbondlist][0] = i; in build()
74 bondlist[nbondlist][1] = atom1; in build()
75 bondlist[nbondlist][2] = bond_type[i][m]; in build()
76 nbondlist++; in build()
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| H A D | ntopo_bond_template.cpp | 61 nbondlist = 0; in build()
86 if (nbondlist == maxbond) { in build()
90 bondlist[nbondlist][0] = i; in build()
91 bondlist[nbondlist][1] = atom1; in build()
92 bondlist[nbondlist][2] = bond_type[iatom][m]; in build()
93 nbondlist++; in build()
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| H A D | fix_halt.cpp | 264 int nbondlist = neighbor->nbondlist; in bondmax() local
270 for (int n = 0; n < nbondlist; n++) { in bondmax()
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| /dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/ |
| H A D | bond_hybrid.cpp | 84 delete [] nbondlist; in ~BondHybrid()
112 if (m >= 0) nbondlist[m]++; in compute()
115 if (nbondlist[m] > maxbond[m]) { in compute()
117 maxbond[m] = nbondlist[m] + EXTRA; in compute()
120 nbondlist[m] = 0; in compute()
125 n = nbondlist[m]; in compute()
129 nbondlist[m]++; in compute()
141 neighbor->nbondlist = nbondlist[m]; in compute()
167 neighbor->nbondlist = nbondlist_orig; in compute()
182 nbondlist = new int[nstyles]; in allocate()
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| H A D | neigh_bond.cpp | 85 nbondlist = 0; in bond_all()
99 if (nbondlist == maxbond) { in bond_all()
105 bondlist[nbondlist][0] = i; in bond_all()
106 bondlist[nbondlist][1] = atom1; in bond_all()
108 bondlist[nbondlist][3] = 0; in bond_all()
116 nbondlist++; in bond_all()
137 nbondlist = 0; in bond_partial()
152 if (nbondlist == maxbond) { in bond_partial()
156 bondlist[nbondlist][0] = i; in bond_partial()
159 bondlist[nbondlist][3] = 0; in bond_partial()
[all …]
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| H A D | bond_harmonic.cpp | 89 int nbondlist = neighbor->nbondlist; in compute() local
93 for (n = 0; n < nbondlist; n++) { in compute()
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| /dports/science/lammps/lammps-stable_29Sep2021/src/KOKKOS/ |
| H A D | bond_harmonic_kokkos.cpp | 89 int nbondlist = neighborKK->nbondlist; in compute() local
101 …rallel_reduce(Kokkos::RangePolicy<DeviceType, TagBondHarmonicCompute<1,1> >(0,nbondlist),*this,ev); in compute()
103 …rallel_reduce(Kokkos::RangePolicy<DeviceType, TagBondHarmonicCompute<0,1> >(0,nbondlist),*this,ev); in compute()
107 …os::parallel_for(Kokkos::RangePolicy<DeviceType, TagBondHarmonicCompute<1,0> >(0,nbondlist),*this); in compute()
109 …os::parallel_for(Kokkos::RangePolicy<DeviceType, TagBondHarmonicCompute<0,0> >(0,nbondlist),*this); in compute()
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| H A D | bond_class2_kokkos.cpp | 89 int nbondlist = neighborKK->nbondlist; in compute() local
101 …parallel_reduce(Kokkos::RangePolicy<DeviceType, TagBondClass2Compute<1,1> >(0,nbondlist),*this,ev); in compute()
103 …parallel_reduce(Kokkos::RangePolicy<DeviceType, TagBondClass2Compute<0,1> >(0,nbondlist),*this,ev); in compute()
107 …Kokkos::parallel_for(Kokkos::RangePolicy<DeviceType, TagBondClass2Compute<1,0> >(0,nbondlist),*thi… in compute()
109 …Kokkos::parallel_for(Kokkos::RangePolicy<DeviceType, TagBondClass2Compute<0,0> >(0,nbondlist),*thi… in compute()
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| H A D | bond_fene_kokkos.cpp | 98 int nbondlist = neighborKK->nbondlist; in compute() local
118 …Kokkos::parallel_reduce(Kokkos::RangePolicy<DeviceType, TagBondFENECompute<1,1> >(0,nbondlist),*th… in compute()
120 …Kokkos::parallel_reduce(Kokkos::RangePolicy<DeviceType, TagBondFENECompute<0,1> >(0,nbondlist),*th… in compute()
124 …Kokkos::parallel_for(Kokkos::RangePolicy<DeviceType, TagBondFENECompute<1,0> >(0,nbondlist),*this); in compute()
126 …Kokkos::parallel_for(Kokkos::RangePolicy<DeviceType, TagBondFENECompute<0,0> >(0,nbondlist),*this); in compute()
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| H A D | neigh_bond_kokkos.cpp | 255 neighbor->nbondlist = h_nlist(); in bond_all()
260 maxbond = neighbor->nbondlist + BONDDELTA; in bond_all()
293 if (nbondlist >= maxbond && !d_fail_flag()) in operator ()()
296 v_bondlist(nbondlist,0) = i; in operator ()()
297 v_bondlist(nbondlist,1) = atom1; in operator ()()
298 v_bondlist(nbondlist,2) = bond_type(i,m); in operator ()()
342 neighbor->nbondlist = h_nlist(); in bond_partial()
347 maxbond = neighbor->nbondlist + BONDDELTA; in bond_partial()
384 v_bondlist(nbondlist,0) = i; in operator ()()
385 v_bondlist(nbondlist,1) = atom1; in operator ()()
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| /dports/science/lammps/lammps-stable_29Sep2021/src/MOLECULE/ |
| H A D | bond_gromos.cpp | 63 int nbondlist = neighbor->nbondlist; in compute() local
67 for (n = 0; n < nbondlist; n++) { in compute()
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| H A D | bond_harmonic.cpp | 61 int nbondlist = neighbor->nbondlist; in compute() local
65 for (n = 0; n < nbondlist; n++) { in compute()
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| H A D | bond_morse.cpp | 63 int nbondlist = neighbor->nbondlist; in compute() local
67 for (n = 0; n < nbondlist; n++) { in compute()
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| H A D | bond_fene.cpp | 59 int nbondlist = neighbor->nbondlist; in compute() local
63 for (n = 0; n < nbondlist; n++) { in compute()
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| H A D | bond_fene_expand.cpp | 60 int nbondlist = neighbor->nbondlist; in compute() local
64 for (n = 0; n < nbondlist; n++) { in compute()
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| /dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/MOLECULE/ |
| H A D | bond_harmonic.cpp | 89 int nbondlist = neighbor->nbondlist; in compute() local
93 for (n = 0; n < nbondlist; n++) { in compute()
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| /dports/science/lammps/lammps-stable_29Sep2021/src/EXTRA-MOLECULE/ |
| H A D | bond_harmonic_shift.cpp | 62 int nbondlist = neighbor->nbondlist; in compute() local
66 for (n = 0; n < nbondlist; n++) { in compute()
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| H A D | bond_harmonic_shift_cut.cpp | 62 int nbondlist = neighbor->nbondlist; in compute() local
66 for (n = 0; n < nbondlist; n++) { in compute()
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| H A D | bond_nonlinear.cpp | 59 int nbondlist = neighbor->nbondlist; in compute() local
63 for (n = 0; n < nbondlist; n++) { in compute()
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| H A D | bond_gaussian.cpp | 76 int nbondlist = neighbor->nbondlist; in compute() local
80 for (n = 0; n < nbondlist; n++) { in compute()
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| /dports/science/lammps/lammps-stable_29Sep2021/src/YAFF/ |
| H A D | bond_mm3.cpp | 63 int nbondlist = neighbor->nbondlist; in compute() local
75 for (n = 0; n < nbondlist; n++) { in compute()
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| /dports/science/lammps/lammps-stable_29Sep2021/src/MISC/ |
| H A D | bond_special.cpp | 81 int nbondlist = neighbor->nbondlist; in compute() local
85 for (n = 0; n < nbondlist; n++) { in compute()
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| /dports/science/lammps/lammps-stable_29Sep2021/src/CLASS2/ |
| H A D | bond_class2.cpp | 66 int nbondlist = neighbor->nbondlist; in compute() local
70 for (n = 0; n < nbondlist; n++) { in compute()
|