/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/subsys/ |
H A D | damping_dipole_types.F | 65 SUBROUTINE damping_p_create(damping, nkinds) argument 67 INTEGER, INTENT(IN) :: nkinds local 76 ALLOCATE (damping%damp(nkinds)) 77 DO i = 1, nkinds
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/dports/science/cp2k-data/cp2k-7.1.0/src/subsys/ |
H A D | damping_dipole_types.F | 65 SUBROUTINE damping_p_create(damping, nkinds) argument 67 INTEGER, INTENT(IN) :: nkinds local 76 ALLOCATE (damping%damp(nkinds)) 77 DO i = 1, nkinds
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | negf_atom_map.F | 168 INTEGER :: handle, iatom, ikind, natoms, nkinds local 173 nkinds = 0 177 IF (nkinds < ikind) nkinds = ikind 180 ALLOCATE (kind_groups(nkinds)) 182 DO ikind = 1, nkinds 192 DO ikind = 1, nkinds
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H A D | colvar_utils.F | 591 nkinds = SIZE(colvar%coord_param%c_kinds_from) 593 DO j = 1, nkinds 609 nkinds = SIZE(colvar%coord_param%c_kinds_to) 611 DO j = 1, nkinds 629 DO j = 1, nkinds 655 DO j = 1, nkinds 673 DO j = 1, nkinds 699 DO j = 1, nkinds 717 DO j = 1, nkinds 742 nkinds = SIZE(colvar%gyration_param%c_kinds) [all …]
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H A D | semi_empirical_expns3_methods.F | 51 INTEGER :: i, itype, j, nkinds local 57 nkinds = SIZE(qs_kind_set) 58 DO i = 1, nkinds 62 ALLOCATE (sepi%expns3_int(nkinds)) 63 DO j = 1, nkinds 70 DO i = 1, nkinds 72 DO j = 1, nkinds
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H A D | fist_neighbor_lists.F | 730 SUBROUTINE sort_neighbor_lists(nonbonded, nkinds) argument 733 INTEGER, INTENT(IN) :: nkinds local 749 ALLOCATE (indj(nkinds*(nkinds + 1)/2)) 751 DO jkind = 1, nkinds 752 DO ikind = jkind, nkinds 792 max_alloc_size = nkinds*(nkinds + 1)/2 + nscale 812 tmp = nkinds - jkind 813 ikind = nkinds + id_kind - nkinds*(nkinds + 1)/2 + (tmp*(tmp + 1)/2) 825 tmp = nkinds - jkind 826 ikind = nkinds + id_kind - nkinds*(nkinds + 1)/2 + (tmp*(tmp + 1)/2)
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H A D | manybody_eam.F | 61 kind_b, nkinds, nparticle local 79 nkinds = SIZE(potparm%pot, 1) 80 ALLOCATE (eam_kinds_index(nkinds, nkinds)) 82 DO ikind = 1, nkinds 83 DO jkind = ikind, nkinds
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H A D | qs_fb_env_methods.F | 811 nkinds = SIZE(qs_kind_set) 812 ALLOCATE (rcut(nkinds)) 821 ALLOCATE (basis_set_list(nkinds)) 828 DO ikind = 1, nkinds 1008 nkinds = SIZE(qs_kind_set) 1017 ALLOCATE (basis_set_list(nkinds)) 1024 ALLOCATE (nfunctions(nkinds)) 1027 DO ikind = 1, nkinds 1070 DO ikind = 1, nkinds 1214 nkinds = SIZE(atomic_kind_set) [all …]
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H A D | qs_tddfpt2_subgroups.F | 582 INTEGER :: handle, ikind, nkinds local 604 nkinds = SIZE(atomic_kind_set) 606 ALLOCATE (atom2d(nkinds)) 610 ALLOCATE (orb_present(nkinds)) 611 ALLOCATE (orb_radius(nkinds)) 612 ALLOCATE (pair_radius(nkinds, nkinds)) 614 DO ikind = 1, nkinds
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H A D | manybody_potential.F | 89 ipair, iparticle, iparticle_local, istart, iunique, jkind, junique, mpair, nkinds, & local 159 CALL fist_nonbond_env_get(fist_nonbond_env, nonbonded=nonbonded, natom_types=nkinds) 362 ipair, istart, iunique, jkind, junique, kind_a, kind_b, mpair, nkinds, nloc_size, npairs, & local 389 … natom_types=nkinds, eam_data=eam_data, r_last_update_pbc=r_last_update_pbc) 398 nkinds = SIZE(potparm%pot, 1) 399 ALLOCATE (eam_kinds_index(nkinds, nkinds)) 401 DO ikind = 1, nkinds 402 DO jkind = ikind, nkinds
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | negf_atom_map.F | 168 INTEGER :: handle, iatom, ikind, natoms, nkinds local 173 nkinds = 0 177 IF (nkinds < ikind) nkinds = ikind 180 ALLOCATE (kind_groups(nkinds)) 182 DO ikind = 1, nkinds 192 DO ikind = 1, nkinds
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H A D | colvar_utils.F | 591 nkinds = SIZE(colvar%coord_param%c_kinds_from) 593 DO j = 1, nkinds 609 nkinds = SIZE(colvar%coord_param%c_kinds_to) 611 DO j = 1, nkinds 629 DO j = 1, nkinds 655 DO j = 1, nkinds 673 DO j = 1, nkinds 699 DO j = 1, nkinds 717 DO j = 1, nkinds 742 nkinds = SIZE(colvar%gyration_param%c_kinds) [all …]
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H A D | semi_empirical_expns3_methods.F | 51 INTEGER :: i, itype, j, nkinds local 57 nkinds = SIZE(qs_kind_set) 58 DO i = 1, nkinds 62 ALLOCATE (sepi%expns3_int(nkinds)) 63 DO j = 1, nkinds 70 DO i = 1, nkinds 72 DO j = 1, nkinds
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H A D | fist_neighbor_lists.F | 730 SUBROUTINE sort_neighbor_lists(nonbonded, nkinds) argument 733 INTEGER, INTENT(IN) :: nkinds local 749 ALLOCATE (indj(nkinds*(nkinds + 1)/2)) 751 DO jkind = 1, nkinds 752 DO ikind = jkind, nkinds 792 max_alloc_size = nkinds*(nkinds + 1)/2 + nscale 812 tmp = nkinds - jkind 813 ikind = nkinds + id_kind - nkinds*(nkinds + 1)/2 + (tmp*(tmp + 1)/2) 825 tmp = nkinds - jkind 826 ikind = nkinds + id_kind - nkinds*(nkinds + 1)/2 + (tmp*(tmp + 1)/2)
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H A D | manybody_eam.F | 61 kind_b, nkinds, nparticle local 79 nkinds = SIZE(potparm%pot, 1) 80 ALLOCATE (eam_kinds_index(nkinds, nkinds)) 82 DO ikind = 1, nkinds 83 DO jkind = ikind, nkinds
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H A D | qs_fb_env_methods.F | 811 nkinds = SIZE(qs_kind_set) 812 ALLOCATE (rcut(nkinds)) 821 ALLOCATE (basis_set_list(nkinds)) 828 DO ikind = 1, nkinds 1008 nkinds = SIZE(qs_kind_set) 1017 ALLOCATE (basis_set_list(nkinds)) 1024 ALLOCATE (nfunctions(nkinds)) 1027 DO ikind = 1, nkinds 1070 DO ikind = 1, nkinds 1214 nkinds = SIZE(atomic_kind_set) [all …]
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H A D | qs_tddfpt2_subgroups.F | 559 INTEGER :: handle, ikind, nkinds local 581 nkinds = SIZE(atomic_kind_set) 583 ALLOCATE (atom2d(nkinds)) 587 ALLOCATE (orb_present(nkinds)) 588 ALLOCATE (orb_radius(nkinds)) 589 ALLOCATE (pair_radius(nkinds, nkinds)) 591 DO ikind = 1, nkinds
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H A D | manybody_potential.F | 89 ipair, iparticle, iparticle_local, istart, iunique, jkind, junique, mpair, nkinds, & local 159 CALL fist_nonbond_env_get(fist_nonbond_env, nonbonded=nonbonded, natom_types=nkinds) 362 ipair, istart, iunique, jkind, junique, kind_a, kind_b, mpair, nkinds, nloc_size, npairs, & local 389 … natom_types=nkinds, eam_data=eam_data, r_last_update_pbc=r_last_update_pbc) 398 nkinds = SIZE(potparm%pot, 1) 399 ALLOCATE (eam_kinds_index(nkinds, nkinds)) 401 DO ikind = 1, nkinds 402 DO jkind = ikind, nkinds
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/dports/chinese/FreeWnn-server/FreeWnn-1.1.1-a021/PubdicPlus/ |
H A D | pod.c | 768 static int nkinds; variable 793 for (i = 0; i < nkinds; i++) 800 …if (nkinds < (sizeof (long) * 8) && (kinds[nkinds].kind = (Wchar *) malloc ((Wslen (s) + 1) * size… 802 (void) Wscpy (kinds[nkinds].kind, s); 803 kinds[nkinds].kindbit = 1 << nkinds; 804 return kinds[nkinds++].kindbit; 817 for (i = 0; i < nkinds; i++) in listkinds() 834 qsort (kinds, nkinds, sizeof (struct kindpack), kindcompar); in sortkind() 1208 for (i = 0; i < nkinds; i++)
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/dports/chinese/FreeWnn-lib/FreeWnn-1.1.1-a021/PubdicPlus/ |
H A D | pod.c | 768 static int nkinds; variable 793 for (i = 0; i < nkinds; i++) 800 …if (nkinds < (sizeof (long) * 8) && (kinds[nkinds].kind = (Wchar *) malloc ((Wslen (s) + 1) * size… 802 (void) Wscpy (kinds[nkinds].kind, s); 803 kinds[nkinds].kindbit = 1 << nkinds; 804 return kinds[nkinds++].kindbit; 817 for (i = 0; i < nkinds; i++) in listkinds() 834 qsort (kinds, nkinds, sizeof (struct kindpack), kindcompar); in sortkind() 1208 for (i = 0; i < nkinds; i++)
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/dports/japanese/canna-lib/Canna37p3/dic/ideo/pubdic/ |
H A D | pod.c | 602 static int nkinds; variable 625 for (i = 0 ; i < nkinds ; i++) { 630 if (nkinds < (sizeof(long) * 8) && 631 (kinds[nkinds].kind = (Wchar *)malloc((Wslen(s) + 1) * sizeof(Wchar))) 633 (void)Wscpy(kinds[nkinds].kind, s); 634 kinds[nkinds].kindbit = 1 << nkinds; 635 return kinds[nkinds++].kindbit; 648 for (i = 0 ; i < nkinds ; i++) { in listkinds() 664 qsort((char *)kinds, nkinds, sizeof(struct kindpack), kindcompar); in sortkind() 1023 for (i = 0 ; i < nkinds ; i++) {
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/dports/japanese/canna-server/Canna37p3/dic/ideo/pubdic/ |
H A D | pod.c | 602 static int nkinds; variable 625 for (i = 0 ; i < nkinds ; i++) { 630 if (nkinds < (sizeof(long) * 8) && 631 (kinds[nkinds].kind = (Wchar *)malloc((Wslen(s) + 1) * sizeof(Wchar))) 633 (void)Wscpy(kinds[nkinds].kind, s); 634 kinds[nkinds].kindbit = 1 << nkinds; 635 return kinds[nkinds++].kindbit; 648 for (i = 0 ; i < nkinds ; i++) { in listkinds() 664 qsort((char *)kinds, nkinds, sizeof(struct kindpack), kindcompar); in sortkind() 1023 for (i = 0 ; i < nkinds ; i++) {
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/dports/japanese/FreeWnn-server/FreeWnn-1.1.1-a021/PubdicPlus/ |
H A D | pod.c | 768 static int nkinds; variable 793 for (i = 0; i < nkinds; i++) 800 …if (nkinds < (sizeof (long) * 8) && (kinds[nkinds].kind = (Wchar *) malloc ((Wslen (s) + 1) * size… 802 (void) Wscpy (kinds[nkinds].kind, s); 803 kinds[nkinds].kindbit = 1 << nkinds; 804 return kinds[nkinds++].kindbit; 817 for (i = 0; i < nkinds; i++) in listkinds() 834 qsort (kinds, nkinds, sizeof (struct kindpack), kindcompar); in sortkind() 1208 for (i = 0; i < nkinds; i++)
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/dports/japanese/FreeWnn-lib/FreeWnn-1.1.1-a021/PubdicPlus/ |
H A D | pod.c | 768 static int nkinds; variable 793 for (i = 0; i < nkinds; i++) 800 …if (nkinds < (sizeof (long) * 8) && (kinds[nkinds].kind = (Wchar *) malloc ((Wslen (s) + 1) * size… 802 (void) Wscpy (kinds[nkinds].kind, s); 803 kinds[nkinds].kindbit = 1 << nkinds; 804 return kinds[nkinds++].kindbit; 817 for (i = 0; i < nkinds; i++) in listkinds() 834 qsort (kinds, nkinds, sizeof (struct kindpack), kindcompar); in sortkind() 1208 for (i = 0; i < nkinds; i++)
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/dports/korean/FreeWnn-lib/FreeWnn-1.1.1-a021/PubdicPlus/ |
H A D | pod.c | 768 static int nkinds; variable 793 for (i = 0; i < nkinds; i++) 800 …if (nkinds < (sizeof (long) * 8) && (kinds[nkinds].kind = (Wchar *) malloc ((Wslen (s) + 1) * size… 802 (void) Wscpy (kinds[nkinds].kind, s); 803 kinds[nkinds].kindbit = 1 << nkinds; 804 return kinds[nkinds++].kindbit; 817 for (i = 0; i < nkinds; i++) in listkinds() 834 qsort (kinds, nkinds, sizeof (struct kindpack), kindcompar); in sortkind() 1208 for (i = 0; i < nkinds; i++)
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