| /dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/ |
| H A D | improper_hybrid.cpp | 86 memory->destroy(improperlist[i]); in ~ImproperHybrid()
87 delete [] improperlist; in ~ImproperHybrid()
100 int **improperlist_orig = neighbor->improperlist; in compute()
115 memory->destroy(improperlist[m]); in compute()
126 improperlist[m][n][0] = improperlist_orig[i][0]; in compute()
127 improperlist[m][n][1] = improperlist_orig[i][1]; in compute()
144 neighbor->improperlist = improperlist[m]; in compute()
170 neighbor->improperlist = improperlist_orig; in compute()
186 improperlist = new int**[nstyles]; in allocate()
216 memory->destroy(improperlist[i]); in settings()
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| H A D | neigh_bond.cpp | 539 improperlist[nimproperlist][0] = atom1; in improper_all()
540 improperlist[nimproperlist][1] = atom2; in improper_all()
541 improperlist[nimproperlist][2] = atom3; in improper_all()
542 improperlist[nimproperlist][3] = atom4; in improper_all()
543 improperlist[nimproperlist][4] = improper_type[i][m]; in improper_all()
547 if (cluster_check) dihedral_check(nimproperlist,improperlist); in improper_all()
594 improperlist[nimproperlist][0] = atom1; in improper_partial()
595 improperlist[nimproperlist][1] = atom2; in improper_partial()
596 improperlist[nimproperlist][2] = atom3; in improper_partial()
597 improperlist[nimproperlist][3] = atom4; in improper_partial()
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| /dports/science/lammps/lammps-stable_29Sep2021/src/ |
| H A D | improper_hybrid.cpp | 37 improperlist = nullptr; in ImproperHybrid()
58 delete[] improperlist; in ~ImproperHybrid()
71 int **improperlist_orig = neighbor->improperlist; in compute()
86 memory->destroy(improperlist[m]); in compute()
96 improperlist[m][n][0] = improperlist_orig[i][0]; in compute()
97 improperlist[m][n][1] = improperlist_orig[i][1]; in compute()
98 improperlist[m][n][2] = improperlist_orig[i][2]; in compute()
123 neighbor->improperlist = improperlist[m]; in compute()
155 neighbor->improperlist = improperlist_orig; in compute()
171 improperlist = new int **[nstyles]; in allocate()
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| H A D | ntopo_improper_all.cpp | 81 memory->grow(improperlist,maximproper,5,"neigh_topo:improperlist"); in build()
83 improperlist[nimproperlist][0] = atom1; in build()
84 improperlist[nimproperlist][1] = atom2; in build()
85 improperlist[nimproperlist][2] = atom3; in build()
86 improperlist[nimproperlist][3] = atom4; in build()
87 improperlist[nimproperlist][4] = improper_type[i][m]; in build()
92 if (cluster_check) dihedral_check(nimproperlist,improperlist); in build()
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| H A D | ntopo_improper_partial.cpp | 85 memory->grow(improperlist,maximproper,5,"neigh_topo:improperlist"); in build()
87 improperlist[nimproperlist][0] = atom1; in build()
88 improperlist[nimproperlist][1] = atom2; in build()
89 improperlist[nimproperlist][2] = atom3; in build()
90 improperlist[nimproperlist][3] = atom4; in build()
91 improperlist[nimproperlist][4] = improper_type[i][m]; in build()
96 if (cluster_check) dihedral_check(nimproperlist,improperlist); in build()
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| H A D | ntopo_improper_template.cpp | 101 memory->grow(improperlist,maximproper,5,"neigh_topo:improperlist"); in build()
103 improperlist[nimproperlist][0] = atom1; in build()
104 improperlist[nimproperlist][1] = atom2; in build()
105 improperlist[nimproperlist][2] = atom3; in build()
106 improperlist[nimproperlist][3] = atom4; in build()
107 improperlist[nimproperlist][4] = improper_type[iatom][m]; in build()
113 if (cluster_check) dihedral_check(nimproperlist,improperlist); in build()
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| /dports/science/lammps/lammps-stable_29Sep2021/src/OPENMP/ |
| H A D | improper_cossq_omp.cpp | 96 const int5_t * _noalias const improperlist = (int5_t *) neighbor->improperlist[0]; in eval() local
100 i1 = improperlist[n].a; in eval()
101 i2 = improperlist[n].b; in eval()
102 i3 = improperlist[n].c; in eval()
103 i4 = improperlist[n].d; in eval()
104 type = improperlist[n].t; in eval()
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| H A D | improper_harmonic_omp.cpp | 97 const int5_t * _noalias const improperlist = (int5_t *) neighbor->improperlist[0]; in eval() local
101 i1 = improperlist[n].a; in eval()
102 i2 = improperlist[n].b; in eval()
103 i3 = improperlist[n].c; in eval()
104 i4 = improperlist[n].d; in eval()
105 type = improperlist[n].t; in eval()
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| H A D | improper_ring_omp.cpp | 109 const int * const * const improperlist = neighbor->improperlist; in eval() local
116 i1 = improperlist[n][0]; /* Atom "1" of Figure 1 from the above reference.*/ in eval()
117 i2 = improperlist[n][1]; /* Atom "2" ... */ in eval()
118 i3 = improperlist[n][2]; /* Atom "3" ... */ in eval()
119 i4 = improperlist[n][3]; /* Atom "9" ... */ in eval()
120 type = improperlist[n][4]; in eval()
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| H A D | improper_fourier_omp.cpp | 90 const int * const * const improperlist = neighbor->improperlist; in eval() local
93 i1 = improperlist[n][0]; in eval()
94 i2 = improperlist[n][1]; in eval()
95 i3 = improperlist[n][2]; in eval()
96 i4 = improperlist[n][3]; in eval()
97 type = improperlist[n][4]; in eval()
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| H A D | improper_umbrella_omp.cpp | 96 const int5_t * _noalias const improperlist = (int5_t *) neighbor->improperlist[0]; in eval() local
100 i1 = improperlist[n].a; in eval()
101 i2 = improperlist[n].b; in eval()
102 i3 = improperlist[n].c; in eval()
103 i4 = improperlist[n].d; in eval()
104 type = improperlist[n].t; in eval()
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| H A D | improper_cvff_omp.cpp | 98 const int5_t * _noalias const improperlist = (int5_t *) neighbor->improperlist[0]; in eval() local
102 i1 = improperlist[n].a; in eval()
103 i2 = improperlist[n].b; in eval()
104 i3 = improperlist[n].c; in eval()
105 i4 = improperlist[n].d; in eval()
106 type = improperlist[n].t; in eval()
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| H A D | improper_class2_omp.cpp | 111 const int5_t * _noalias const improperlist = (int5_t *) neighbor->improperlist[0]; in eval() local
124 i1 = improperlist[n].a; in eval()
125 i2 = improperlist[n].b; in eval()
126 i3 = improperlist[n].c; in eval()
127 i4 = improperlist[n].d; in eval()
128 type = improperlist[n].t; in eval()
511 const int5_t * _noalias const improperlist = (int5_t *) neighbor->improperlist[0]; in angleangle_thr() local
515 i1 = improperlist[n].a; in angleangle_thr()
516 i2 = improperlist[n].b; in angleangle_thr()
517 i3 = improperlist[n].c; in angleangle_thr()
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| /dports/science/lammps/lammps-stable_29Sep2021/src/EXTRA-MOLECULE/ |
| H A D | improper_cossq.cpp | 68 int **improperlist = neighbor->improperlist; in compute() local
75 i1 = improperlist[n][0]; in compute()
76 i2 = improperlist[n][1]; in compute()
77 i3 = improperlist[n][2]; in compute()
78 i4 = improperlist[n][3]; in compute()
79 type = improperlist[n][4]; in compute()
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| H A D | improper_distance.cpp | 74 int **improperlist = neighbor->improperlist; in compute() local
80 i1 = improperlist[n][0]; in compute()
81 i2 = improperlist[n][1]; in compute()
82 i3 = improperlist[n][2]; in compute()
83 i4 = improperlist[n][3]; in compute()
84 type = improperlist[n][4]; in compute()
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| H A D | improper_ring.cpp | 102 int **improperlist = neighbor->improperlist; in compute() local
113 i1 = improperlist[n][0]; /* Atom "1" of Figure 1 from the above reference.*/ in compute()
114 i2 = improperlist[n][1]; /* Atom "2" ... */ in compute()
115 i3 = improperlist[n][2]; /* Atom "3" ... */ in compute()
116 i4 = improperlist[n][3]; /* Atom "9" ... */ in compute()
117 type = improperlist[n][4]; in compute()
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| H A D | improper_fourier.cpp | 64 int **improperlist = neighbor->improperlist; in compute() local
68 i1 = improperlist[n][0]; in compute()
69 i2 = improperlist[n][1]; in compute()
70 i3 = improperlist[n][2]; in compute()
71 i4 = improperlist[n][3]; in compute()
72 type = improperlist[n][4]; in compute()
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| /dports/science/lammps/lammps-stable_29Sep2021/src/MOLECULE/ |
| H A D | improper_harmonic.cpp | 67 int **improperlist = neighbor->improperlist; in compute() local
73 i1 = improperlist[n][0]; in compute()
74 i2 = improperlist[n][1]; in compute()
75 i3 = improperlist[n][2]; in compute()
76 i4 = improperlist[n][3]; in compute()
77 type = improperlist[n][4]; in compute()
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| H A D | improper_umbrella.cpp | 71 int **improperlist = neighbor->improperlist; in compute() local
77 i1 = improperlist[n][0]; in compute()
78 i2 = improperlist[n][1]; in compute()
79 i3 = improperlist[n][2]; in compute()
80 i4 = improperlist[n][3]; in compute()
81 type = improperlist[n][4]; in compute()
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| H A D | improper_cvff.cpp | 67 int **improperlist = neighbor->improperlist; in compute() local
73 i1 = improperlist[n][0]; in compute()
74 i2 = improperlist[n][1]; in compute()
75 i3 = improperlist[n][2]; in compute()
76 i4 = improperlist[n][3]; in compute()
77 type = improperlist[n][4]; in compute()
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| /dports/science/lammps/lammps-stable_29Sep2021/src/YAFF/ |
| H A D | improper_distharm.cpp | 74 int **improperlist = neighbor->improperlist; in compute() local
80 i1 = improperlist[n][0]; in compute()
81 i2 = improperlist[n][1]; in compute()
82 i3 = improperlist[n][2]; in compute()
83 i4 = improperlist[n][3]; in compute()
84 type = improperlist[n][4]; in compute()
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| H A D | improper_sqdistharm.cpp | 74 int **improperlist = neighbor->improperlist; in compute() local
80 i1 = improperlist[n][0]; in compute()
81 i2 = improperlist[n][1]; in compute()
82 i3 = improperlist[n][2]; in compute()
83 i4 = improperlist[n][3]; in compute()
84 type = improperlist[n][4]; in compute()
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| /dports/science/lammps/lammps-stable_29Sep2021/src/MOFFF/ |
| H A D | improper_inversion_harmonic.cpp | 70 int **improperlist = neighbor->improperlist; in compute() local
74 i1 = improperlist[n][0]; in compute()
75 i2 = improperlist[n][1]; in compute()
76 i3 = improperlist[n][2]; in compute()
77 i4 = improperlist[n][3]; in compute()
78 type = improperlist[n][4]; in compute()
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| /dports/science/lammps/lammps-stable_29Sep2021/src/CLASS2/ |
| H A D | improper_class2.cpp | 106 int **improperlist = neighbor->improperlist; in compute() local
112 i1 = improperlist[n][0]; in compute()
113 i2 = improperlist[n][1]; in compute()
114 i3 = improperlist[n][2]; in compute()
115 i4 = improperlist[n][3]; in compute()
116 type = improperlist[n][4]; in compute()
630 int **improperlist = neighbor->improperlist; in angleangle() local
636 i1 = improperlist[n][0]; in angleangle()
637 i2 = improperlist[n][1]; in angleangle()
638 i3 = improperlist[n][2]; in angleangle()
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| /dports/science/lammps/lammps-stable_29Sep2021/src/INTEL/ |
| H A D | improper_harmonic_intel.cpp | 161 const int5_t * _noalias const improperlist = local
162 (int5_t *) neighbor->improperlist[0];
179 const int i1 = improperlist[n].a;
180 const int i2 = improperlist[n].b;
181 const int i3 = improperlist[n].c;
182 const int i4 = improperlist[n].d;
183 const int type = improperlist[n].t;
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