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Searched refs:num_angle (Results 1 – 25 of 71) sorted by relevance

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/dports/science/lammps/lammps-stable_29Sep2021/src/
H A Dcreate_bonds.cpp400 int *num_angle = atom->num_angle; in single_angle() local
409 angle_type[m][num_angle[m]] = atype; in single_angle()
410 angle_atom1[m][num_angle[m]] = aatom1; in single_angle()
411 angle_atom2[m][num_angle[m]] = aatom2; in single_angle()
412 angle_atom3[m][num_angle[m]] = aatom3; in single_angle()
413 num_angle[m]++; in single_angle()
422 angle_type[m][num_angle[m]] = atype; in single_angle()
423 angle_atom1[m][num_angle[m]] = aatom1; in single_angle()
426 num_angle[m]++; in single_angle()
432 angle_type[m][num_angle[m]] = atype; in single_angle()
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H A Dntopo_angle_template.cpp47 int *num_angle; in build() local
68 num_angle = onemols[imol]->num_angle; in build()
74 for (m = 0; m < num_angle[iatom]; m++) { in build()
H A Dntopo_angle_all.cpp45 int *num_angle = atom->num_angle; in build() local
57 for (m = 0; m < num_angle[i]; m++) { in build()
H A Dntopo_angle_partial.cpp45 int *num_angle = atom->num_angle; in build() local
57 for (m = 0; m < num_angle[i]; m++) { in build()
H A Ddelete_atoms.cpp538 int *num_angle = atom->num_angle; in recount_topology() local
545 if (num_angle) nangles += num_angle[i]; in recount_topology()
563 nangles += onemols[imol]->num_angle[iatom]; in recount_topology()
598 int *num_angle = daptr->atom->num_angle; in bondring() local
647 if (num_angle) { in bondring()
649 n = num_angle[i]; in bondring()
661 num_angle[i] = n; in bondring()
H A Dcompute_angle_local.cpp205 int *num_angle = atom->num_angle; in compute_angles() local
227 if (molecular == Atom::MOLECULAR) na = num_angle[atom2]; in compute_angles()
232 na = onemols[imol]->num_angle[iatom]; in compute_angles()
H A Dmolecule.cpp1070 angle_type[m][num_angle[m]] = itype; in angles()
1071 angle_atom1[m][num_angle[m]] = atom1; in angles()
1072 angle_atom2[m][num_angle[m]] = atom2; in angles()
1073 angle_atom3[m][num_angle[m]] = atom3; in angles()
1074 num_angle[m]++; in angles()
1077 angle_type[m][num_angle[m]] = itype; in angles()
1081 num_angle[m]++; in angles()
1083 angle_type[m][num_angle[m]] = itype; in angles()
1087 num_angle[m]++; in angles()
1814 num_angle = nullptr; in initialize()
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H A Datom.cpp137 num_angle = nullptr; in Atom()
435 add_peratom("num_angle",&num_angle,INT,0); in peratom_create()
438 &angle_per_atom,&num_angle); in peratom_create()
440 &angle_per_atom,&num_angle); in peratom_create()
442 &angle_per_atom,&num_angle); in peratom_create()
1362 angle_type[m][num_angle[m]] = itype; in data_angles()
1363 angle_atom1[m][num_angle[m]] = atom1; in data_angles()
1366 num_angle[m]++; in data_angles()
1377 num_angle[m]++; in data_angles()
1387 num_angle[m]++; in data_angles()
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H A Ddelete_bonds.cpp184 int *num_angle = atom->num_angle; in command() local
188 for (m = 0; m < num_angle[i]; m++) { in command()
344 while (m < atom->num_angle[i]) { in command()
355 n = atom->num_angle[i]; in command()
360 atom->num_angle[i]--; in command()
441 for (i = 0; i < nlocal; i++) nangles += atom->num_angle[i]; in command()
492 for (m = 0; m < atom->num_angle[i]; m++) in command()
/dports/science/lammps/lammps-stable_29Sep2021/src/MOLECULE/
H A Datom_vec_angle.cpp79 num_angle = atom->num_angle; in grow_pointers()
115 for (int m = 0; m < num_angle[ilocal]; m++) { in pack_restart_pre()
138 for (int m = 0; m < num_angle[ilocal]; m++) in pack_restart_post()
162 num_angle[ilocal] = 0; in data_atom_post()
H A Datom_vec_molecular.cpp101 num_angle = atom->num_angle; in grow_pointers()
151 for (int m = 0; m < num_angle[ilocal]; m++) { in pack_restart_pre()
192 for (int m = 0; m < num_angle[ilocal]; m++) in pack_restart_post()
228 num_angle[ilocal] = 0; in data_atom_post()
H A Datom_vec_full.cpp101 num_angle = atom->num_angle; in grow_pointers()
151 for (int m = 0; m < num_angle[ilocal]; m++) { in pack_restart_pre()
192 for (int m = 0; m < num_angle[ilocal]; m++) in pack_restart_post()
228 num_angle[ilocal] = 0; in data_atom_post()
/dports/science/lammps/lammps-stable_29Sep2021/unittest/commands/
H A Dtest_reset_ids.cpp451 auto num_angle = lmp->atom->num_angle; in TEST_F() local
500 ASSERT_EQ(num_angle[GETIDX(1)], 1); in TEST_F()
504 ASSERT_EQ(num_angle[GETIDX(2)], 0); in TEST_F()
505 ASSERT_EQ(num_angle[GETIDX(3)], 6); in TEST_F()
521 ASSERT_EQ(num_angle[GETIDX(18)], 1); in TEST_F()
525 ASSERT_EQ(num_angle[GETIDX(24)], 1); in TEST_F()
535 num_angle = lmp->atom->num_angle; in TEST_F()
584 ASSERT_EQ(num_angle[GETIDX(1)], 3); in TEST_F()
594 ASSERT_EQ(num_angle[GETIDX(2)], 0); in TEST_F()
595 ASSERT_EQ(num_angle[GETIDX(5)], 6); in TEST_F()
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/dports/science/lammps/lammps-stable_29Sep2021/src/MC/
H A Dfix_bond_swap.cpp215 int *num_angle = atom->num_angle; in post_integrate() local
338 for (iangle = 0; iangle < num_angle[i]; iangle++) { in post_integrate()
366 for (jangle = 0; jangle < num_angle[j]; jangle++) { in post_integrate()
520 for (iangle = 0; iangle < num_angle[i]; iangle++) { in post_integrate()
538 for (jangle = 0; jangle < num_angle[j]; jangle++) { in post_integrate()
556 for (iangle = 0; iangle < num_angle[inext]; iangle++) { in post_integrate()
573 for (jangle = 0; jangle < num_angle[jnext]; jangle++) { in post_integrate()
600 for (iangle = 0; iangle < num_angle[iprev]; iangle++) { in post_integrate()
611 for (jangle = 0; jangle < num_angle[jprev]; jangle++) { in post_integrate()
622 for (iangle = 0; iangle < num_angle[ilast]; iangle++) { in post_integrate()
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H A Dfix_bond_create.cpp833 int num_angle = atom->num_angle[m]; in create_angles() local
868 angle_atom1[num_angle] = i1; in create_angles()
869 angle_atom2[num_angle] = i2; in create_angles()
870 angle_atom3[num_angle] = i3; in create_angles()
871 num_angle++; in create_angles()
877 atom->num_angle[m] = num_angle; in create_angles()
912 angle_atom1[num_angle] = i1; in create_angles()
913 angle_atom2[num_angle] = i2; in create_angles()
914 angle_atom3[num_angle] = i3; in create_angles()
915 num_angle++; in create_angles()
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H A Dfix_bond_break.cpp555 int num_angle = atom->num_angle[m]; in break_angles() local
562 while (i < num_angle) { in break_angles()
570 for (j = i; j < num_angle-1; j++) { in break_angles()
576 num_angle--; in break_angles()
581 atom->num_angle[m] = num_angle; in break_angles()
804 printf("TAG " TAGINT_FORMAT ": %d nangles: ",atom->tag[i],atom->num_angle[i]); in print_bb()
805 for (int j = 0; j < atom->num_angle[i]; j++) { in print_bb()
/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/MOLECULE/
H A Datom_vec_molecular.cpp113 num_angle = memory->grow(atom->num_angle,nmax,"atom:num_angle"); in grow()
174 num_angle = atom->num_angle; angle_type = atom->angle_type; in grow_reset()
212 num_angle[j] = num_angle[i]; in copy()
213 for (k = 0; k < num_angle[j]; k++) { in copy()
649 buf[m++] = ubuf(num_angle[i]).d; in pack_exchange()
650 for (k = 0; k < num_angle[i]; k++) { in pack_exchange()
811 buf[m++] = ubuf(num_angle[i]).d; in pack_restart()
812 for (k = 0; k < num_angle[i]; k++) { in pack_restart()
942 num_angle[nlocal] = 0; in create_atom()
981 num_angle[nlocal] = 0; in data_atom()
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H A Datom_vec_full.cpp114 num_angle = memory->grow(atom->num_angle,nmax,"atom:num_angle"); in grow()
175 num_angle = atom->num_angle; angle_type = atom->angle_type; in grow_reset()
214 num_angle[j] = num_angle[i]; in copy()
215 for (k = 0; k < num_angle[j]; k++) { in copy()
662 buf[m++] = ubuf(num_angle[i]).d; in pack_exchange()
663 for (k = 0; k < num_angle[i]; k++) { in pack_exchange()
826 buf[m++] = ubuf(num_angle[i]).d; in pack_restart()
827 for (k = 0; k < num_angle[i]; k++) { in pack_restart()
959 num_angle[nlocal] = 0; in create_atom()
1000 num_angle[nlocal] = 0; in data_atom()
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/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/
H A Datom_vec_full.cpp114 num_angle = memory->grow(atom->num_angle,nmax,"atom:num_angle"); in grow()
175 num_angle = atom->num_angle; angle_type = atom->angle_type; in grow_reset()
214 num_angle[j] = num_angle[i]; in copy()
215 for (k = 0; k < num_angle[j]; k++) { in copy()
662 buf[m++] = ubuf(num_angle[i]).d; in pack_exchange()
663 for (k = 0; k < num_angle[i]; k++) { in pack_exchange()
826 buf[m++] = ubuf(num_angle[i]).d; in pack_restart()
827 for (k = 0; k < num_angle[i]; k++) { in pack_restart()
959 num_angle[nlocal] = 0; in create_atom()
1000 num_angle[nlocal] = 0; in data_atom()
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H A Datom_vec_molecular.cpp113 num_angle = memory->grow(atom->num_angle,nmax,"atom:num_angle"); in grow()
174 num_angle = atom->num_angle; angle_type = atom->angle_type; in grow_reset()
212 num_angle[j] = num_angle[i]; in copy()
213 for (k = 0; k < num_angle[j]; k++) { in copy()
649 buf[m++] = ubuf(num_angle[i]).d; in pack_exchange()
650 for (k = 0; k < num_angle[i]; k++) { in pack_exchange()
811 buf[m++] = ubuf(num_angle[i]).d; in pack_restart()
812 for (k = 0; k < num_angle[i]; k++) { in pack_restart()
942 num_angle[nlocal] = 0; in create_atom()
981 num_angle[nlocal] = 0; in data_atom()
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H A Datom.cpp150 num_angle = NULL; in Atom()
300 memory->destroy(num_angle); in ~Atom()
962 angle_type[m][num_angle[m]] = itype; in data_angles()
963 angle_atom1[m][num_angle[m]] = atom1; in data_angles()
964 angle_atom2[m][num_angle[m]] = atom2; in data_angles()
965 angle_atom3[m][num_angle[m]] = atom3; in data_angles()
966 num_angle[m]++; in data_angles()
970 angle_type[m][num_angle[m]] = itype; in data_angles()
974 num_angle[m]++; in data_angles()
977 angle_type[m][num_angle[m]] = itype; in data_angles()
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H A Ddelete_bonds.cpp195 int *num_angle = atom->num_angle; in command() local
199 for (m = 0; m < num_angle[i]; m++) { in command()
344 while (m < atom->num_angle[i]) { in command()
355 n = atom->num_angle[i]; in command()
360 atom->num_angle[i]--; in command()
441 for (i = 0; i < nlocal; i++) nangles += atom->num_angle[i]; in command()
492 for (m = 0; m < atom->num_angle[i]; m++) in command()
H A Datom_vec.cpp222 int *num_angle = atom->num_angle; in pack_angle() local
234 for (j = 0; j < num_angle[i]; j++) { in pack_angle()
246 for (j = 0; j < num_angle[i]; j++) in pack_angle()
/dports/science/lammps/lammps-stable_29Sep2021/src/DIELECTRIC/
H A Datom_vec_dielectric.cpp117 num_angle = atom->num_angle; in grow_pointers()
153 num_angle[ilocal] = 0; in data_atom_post()
/dports/graphics/py-scikit-image/scikit-image-0.19.0/skimage/feature/
H A Dtexture.py222 (num_level, num_level2, num_dist, num_angle) = P.shape
227 if num_angle <= 0:
256 results = np.zeros((num_dist, num_angle), dtype=np.float64)

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