/dports/science/lammps/lammps-stable_29Sep2021/src/ |
H A D | create_bonds.cpp | 400 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() [all …]
|
H A D | ntopo_angle_template.cpp | 47 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 D | ntopo_angle_all.cpp | 45 int *num_angle = atom->num_angle; in build() local 57 for (m = 0; m < num_angle[i]; m++) { in build()
|
H A D | ntopo_angle_partial.cpp | 45 int *num_angle = atom->num_angle; in build() local 57 for (m = 0; m < num_angle[i]; m++) { in build()
|
H A D | delete_atoms.cpp | 538 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 D | compute_angle_local.cpp | 205 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 D | molecule.cpp | 1070 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() [all …]
|
H A D | atom.cpp | 137 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() [all …]
|
H A D | delete_bonds.cpp | 184 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 D | atom_vec_angle.cpp | 79 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 D | atom_vec_molecular.cpp | 101 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 D | atom_vec_full.cpp | 101 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 D | test_reset_ids.cpp | 451 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() [all …]
|
/dports/science/lammps/lammps-stable_29Sep2021/src/MC/ |
H A D | fix_bond_swap.cpp | 215 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() [all …]
|
H A D | fix_bond_create.cpp | 833 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() [all …]
|
H A D | fix_bond_break.cpp | 555 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 D | atom_vec_molecular.cpp | 113 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() [all …]
|
H A D | atom_vec_full.cpp | 114 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() [all …]
|
/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/ |
H A D | atom_vec_full.cpp | 114 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() [all …]
|
H A D | atom_vec_molecular.cpp | 113 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() [all …]
|
H A D | atom.cpp | 150 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() [all …]
|
H A D | delete_bonds.cpp | 195 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 D | atom_vec.cpp | 222 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 D | atom_vec_dielectric.cpp | 117 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 D | texture.py | 222 (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)
|