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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/subsys/
H A Ddamping_dipole_types.F65 SUBROUTINE damping_p_create(damping, nkinds) argument
67 INTEGER, INTENT(IN) :: nkinds local
76 ALLOCATE (damping%damp(nkinds))
77 DO i = 1, nkinds
/dports/science/cp2k-data/cp2k-7.1.0/src/subsys/
H A Ddamping_dipole_types.F65 SUBROUTINE damping_p_create(damping, nkinds) argument
67 INTEGER, INTENT(IN) :: nkinds local
76 ALLOCATE (damping%damp(nkinds))
77 DO i = 1, nkinds
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dnegf_atom_map.F168 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
H A Dcolvar_utils.F591 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 …]
H A Dsemi_empirical_expns3_methods.F51 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
H A Dfist_neighbor_lists.F730 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)
H A Dmanybody_eam.F61 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
H A Dqs_fb_env_methods.F811 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 …]
H A Dqs_tddfpt2_subgroups.F582 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
H A Dmanybody_potential.F89 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
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dnegf_atom_map.F168 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
H A Dcolvar_utils.F591 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 …]
H A Dsemi_empirical_expns3_methods.F51 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
H A Dfist_neighbor_lists.F730 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)
H A Dmanybody_eam.F61 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
H A Dqs_fb_env_methods.F811 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 …]
H A Dqs_tddfpt2_subgroups.F559 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
H A Dmanybody_potential.F89 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
/dports/chinese/FreeWnn-server/FreeWnn-1.1.1-a021/PubdicPlus/
H A Dpod.c768 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++)
/dports/chinese/FreeWnn-lib/FreeWnn-1.1.1-a021/PubdicPlus/
H A Dpod.c768 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++)
/dports/japanese/canna-lib/Canna37p3/dic/ideo/pubdic/
H A Dpod.c602 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++) {
/dports/japanese/canna-server/Canna37p3/dic/ideo/pubdic/
H A Dpod.c602 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++) {
/dports/japanese/FreeWnn-server/FreeWnn-1.1.1-a021/PubdicPlus/
H A Dpod.c768 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++)
/dports/japanese/FreeWnn-lib/FreeWnn-1.1.1-a021/PubdicPlus/
H A Dpod.c768 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++)
/dports/korean/FreeWnn-lib/FreeWnn-1.1.1-a021/PubdicPlus/
H A Dpod.c768 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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