| /dports/science/lammps/lammps-stable_29Sep2021/src/MOLECULE/ |
| H A D | atom_vec_template.cpp | 99 molatom = atom->molatom; in grow_pointers()
109 molatom[ilocal] = -1; in create_atom_post()
119 molatom[ilocal]++; in pack_data_pre()
129 molatom[ilocal]--; in pack_data_post()
141 int molatom_one = --molatom[ilocal]; in data_atom_post()
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| /dports/science/lammps/lammps-stable_29Sep2021/unittest/formats/ |
| H A D | test_atom_styles.cpp | 2740 auto molatom = lmp->atom->molatom; in TEST_F() local
2766 ASSERT_EQ(molatom[GETIDX(1)], 0); in TEST_F()
2767 ASSERT_EQ(molatom[GETIDX(2)], 1); in TEST_F()
2768 ASSERT_EQ(molatom[GETIDX(3)], 2); in TEST_F()
2812 molatom = lmp->atom->molatom; in TEST_F()
2928 molatom = lmp->atom->molatom; in TEST_F()
2988 molatom = lmp->atom->molatom; in TEST_F()
3155 auto molatom = lmp->atom->molatom; in TEST_F() local
3227 molatom = lmp->atom->molatom; in TEST_F()
3356 molatom = lmp->atom->molatom; in TEST_F()
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| /dports/science/lammps/lammps-stable_29Sep2021/src/ |
| H A D | ntopo_bond_template.cpp | 55 int *molatom = atom->molatom; in build() local
66 iatom = molatom[i]; in build()
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| H A D | ntopo_angle_template.cpp | 55 int *molatom = atom->molatom; in build() local
66 iatom = molatom[i]; in build()
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| H A D | npair_full_nsq.cpp | 58 int *molatom = atom->molatom; in build() local
81 iatom = molatom[i]; in build()
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| H A D | npair_half_nsq_newtoff.cpp | 59 int *molatom = atom->molatom; in build() local
82 iatom = molatom[i]; in build()
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| H A D | ntopo_dihedral_template.cpp | 56 int *molatom = atom->molatom; in build() local
67 iatom = molatom[i]; in build()
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| H A D | ntopo_improper_template.cpp | 56 int *molatom = atom->molatom; in build() local
67 iatom = molatom[i]; in build()
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| H A D | npair_half_bin_newtoff.cpp | 55 int *molatom = atom->molatom; in build() local
78 iatom = molatom[i]; in build()
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| H A D | npair_full_bin.cpp | 53 int *molatom = atom->molatom; in build() local
76 iatom = molatom[i]; in build()
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| H A D | npair_half_nsq_newton.cpp | 59 int *molatom = atom->molatom; in build() local
83 iatom = molatom[i]; in build()
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| H A D | npair_full_multi_old.cpp | 56 int *molatom = atom->molatom; in build() local
79 iatom = molatom[i]; in build()
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| H A D | npair_half_bin_newton_tri.cpp | 54 int *molatom = atom->molatom; in build() local
77 iatom = molatom[i]; in build()
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| H A D | npair_half_multi_old_newtoff.cpp | 58 int *molatom = atom->molatom; in build() local
81 iatom = molatom[i]; in build()
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| /dports/science/lammps/lammps-stable_29Sep2021/src/OPENMP/ |
| H A D | npair_full_bin_omp.cpp | 62 int *molatom = atom->molatom; in build() local
86 iatom = molatom[i]; in build()
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| H A D | npair_half_bin_newtoff_omp.cpp | 67 int *molatom = atom->molatom; in build() local
89 iatom = molatom[i]; in build()
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| H A D | npair_half_nsq_newtoff_omp.cpp | 67 int *molatom = atom->molatom; in build() local
91 iatom = molatom[i]; in build()
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| H A D | npair_full_nsq_omp.cpp | 66 int *molatom = atom->molatom; in build() local
90 iatom = molatom[i]; in build()
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| H A D | npair_half_bin_newton_tri_omp.cpp | 66 int *molatom = atom->molatom; in build() local
88 iatom = molatom[i]; in build()
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| H A D | npair_half_multi_old_newtoff_omp.cpp | 69 int *molatom = atom->molatom; in build() local
91 iatom = molatom[i]; in build()
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| H A D | npair_full_multi_old_omp.cpp | 66 int *molatom = atom->molatom; in build() local
88 iatom = molatom[i]; in build()
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| H A D | npair_half_nsq_newtoff_ghost_omp.cpp | 70 int *molatom = atom->molatom; in build() local
94 iatom = molatom[i]; in build()
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| H A D | npair_full_multi_omp.cpp | 69 int *molatom = atom->molatom; in build() local
92 iatom = molatom[i]; in build()
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| H A D | npair_full_nsq_ghost_omp.cpp | 65 int *molatom = atom->molatom; in build() local
89 iatom = molatom[i]; in build()
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| H A D | npair_half_multi_newtoff_omp.cpp | 71 int *molatom = atom->molatom; in build() local
94 iatom = molatom[i]; in build()
|