Home
last modified time | relevance | path

Searched refs:ub_a (Results 1 – 18 of 18) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dtopology_connectivity_util.F647 DO j = 1, SIZE(conn_info%ub_a)
648 j1 = map_atom_mol(conn_info%ub_a(j))
659 DO j = 1, SIZE(conn_info%ub_a)
660 j1 = map_atom_mol(conn_info%ub_a(j))
665 c_var_a(idim) = conn_info%ub_a(j)
677 IF (ASSOCIATED(conn_info%ub_a)) nvar1 = SIZE(conn_info%ub_a)
686 j1 = map_atom_mol(conn_info%ub_a(i))
733 conn_info%ub_a(jind), &
1306 IF (ASSOCIATED(conn_info%ub_a)) THEN
1307 nub = SIZE(conn_info%ub_a)
[all …]
H A Dforce_field_types.F63 CHARACTER(LEN=default_string_length), POINTER :: ub_a(:) component
107 CHARACTER(LEN=default_string_length), POINTER :: ub_a(:) component
307 NULLIFY (chm_info%ub_a)
402 NULLIFY (inp_info%ub_a)
590 IF (ASSOCIATED(chm_info%ub_a)) THEN
591 DEALLOCATE (chm_info%ub_a)
838 IF (ASSOCIATED(inp_info%ub_a)) THEN
839 DEALLOCATE (inp_info%ub_a)
H A Dtopology_types.F53 INTEGER, POINTER :: ub_a(:), ub_b(:), ub_c(:) component
270 NULLIFY (topology%conn_info%ub_a)
456 IF (ASSOCIATED(topology%conn_info%ub_a)) THEN
457 DEALLOCATE (topology%conn_info%ub_a)
H A Dforce_fields_ext.F460 CALL reallocate(chm_info%ub_a, 1, nub)
465 chm_info%ub_a(nub) = string
471 TRIM(chm_info%ub_a(nub)), " ", &
H A Dforce_fields_input.F379 CALL reallocate(inp_info%ub_a, 1, nubs)
384 CALL read_ubs_section(inp_info%ub_kind, inp_info%ub_a, inp_info%ub_b, inp_info%ub_c, &
1727 SUBROUTINE read_ubs_section(ub_kind, ub_a, ub_b, ub_c, ub_k, ub_r0, section, start) argument
1730 DIMENSION(:), POINTER :: ub_a, ub_b, ub_c local
1754 ub_a(start + isec) = atm_names(1)
1757 CALL uppercase(ub_a(start + isec))
H A Dforce_fields_all.F1173 IF (ASSOCIATED(chm_info%ub_a)) THEN
1174 DO k = 1, SIZE(chm_info%ub_a)
1175 IF ((((chm_info%ub_a(k)) == (name_atm_a)) .AND. &
1178 (((chm_info%ub_a(k)) == (name_atm_c)) .AND. &
1198 IF (ASSOCIATED(inp_info%ub_a)) THEN
1199 DO k = 1, SIZE(inp_info%ub_a)
1200 IF ((((inp_info%ub_a(k)) == (name_atm_a)) .AND. &
1203 (((inp_info%ub_a(k)) == (name_atm_c)) .AND. &
H A Dtopology_psf.F472 CALL reallocate(conn_info%ub_a, 1, ntheta)
475 conn_info%ub_a(:) = conn_info%theta_a(:)
H A Dtopology_generate_util.F1756 CALL reallocate(conn_info%ub_a, 1, ntheta)
1761 conn_info%ub_a(itheta) = conn_info%theta_a(itheta)
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dtopology_connectivity_util.F647 DO j = 1, SIZE(conn_info%ub_a)
648 j1 = map_atom_mol(conn_info%ub_a(j))
659 DO j = 1, SIZE(conn_info%ub_a)
660 j1 = map_atom_mol(conn_info%ub_a(j))
665 c_var_a(idim) = conn_info%ub_a(j)
677 IF (ASSOCIATED(conn_info%ub_a)) nvar1 = SIZE(conn_info%ub_a)
686 j1 = map_atom_mol(conn_info%ub_a(i))
733 conn_info%ub_a(jind), &
1306 IF (ASSOCIATED(conn_info%ub_a)) THEN
1307 nub = SIZE(conn_info%ub_a)
[all …]
H A Dforce_field_types.F63 CHARACTER(LEN=default_string_length), POINTER :: ub_a(:) component
107 CHARACTER(LEN=default_string_length), POINTER :: ub_a(:) component
307 NULLIFY (chm_info%ub_a)
402 NULLIFY (inp_info%ub_a)
590 IF (ASSOCIATED(chm_info%ub_a)) THEN
591 DEALLOCATE (chm_info%ub_a)
838 IF (ASSOCIATED(inp_info%ub_a)) THEN
839 DEALLOCATE (inp_info%ub_a)
H A Dtopology_types.F53 INTEGER, POINTER :: ub_a(:), ub_b(:), ub_c(:) component
270 NULLIFY (topology%conn_info%ub_a)
456 IF (ASSOCIATED(topology%conn_info%ub_a)) THEN
457 DEALLOCATE (topology%conn_info%ub_a)
H A Dforce_fields_ext.F460 CALL reallocate(chm_info%ub_a, 1, nub)
465 chm_info%ub_a(nub) = string
471 TRIM(chm_info%ub_a(nub)), " ", &
H A Dforce_fields_input.F379 CALL reallocate(inp_info%ub_a, 1, nubs)
384 CALL read_ubs_section(inp_info%ub_kind, inp_info%ub_a, inp_info%ub_b, inp_info%ub_c, &
1727 SUBROUTINE read_ubs_section(ub_kind, ub_a, ub_b, ub_c, ub_k, ub_r0, section, start) argument
1730 DIMENSION(:), POINTER :: ub_a, ub_b, ub_c local
1754 ub_a(start + isec) = atm_names(1)
1757 CALL uppercase(ub_a(start + isec))
H A Dforce_fields_all.F1173 IF (ASSOCIATED(chm_info%ub_a)) THEN
1174 DO k = 1, SIZE(chm_info%ub_a)
1175 IF ((((chm_info%ub_a(k)) == (name_atm_a)) .AND. &
1178 (((chm_info%ub_a(k)) == (name_atm_c)) .AND. &
1198 IF (ASSOCIATED(inp_info%ub_a)) THEN
1199 DO k = 1, SIZE(inp_info%ub_a)
1200 IF ((((inp_info%ub_a(k)) == (name_atm_a)) .AND. &
1203 (((inp_info%ub_a(k)) == (name_atm_c)) .AND. &
H A Dtopology_psf.F472 CALL reallocate(conn_info%ub_a, 1, ntheta)
475 conn_info%ub_a(:) = conn_info%theta_a(:)
H A Dtopology_generate_util.F1756 CALL reallocate(conn_info%ub_a, 1, ntheta)
1761 conn_info%ub_a(itheta) = conn_info%theta_a(itheta)
/dports/math/dbcsr/dbcsr-2.1.0/src/ops/
H A Ddbcsr_operations.F3010 INTEGER :: ub_a, ub_b local
3012 ub_a = first_lb_a + nze - 1
3019 matrix_a%data_area%d%${base1}$_${prec1}$ (first_lb_a:ub_a), 1)
3021 matrix_a%data_area%d%${base1}$_${prec1}$ (first_lb_a:ub_a) = &
3022 matrix_a%data_area%d%${base1}$_${prec1}$ (first_lb_a:ub_a) + &
3027 matrix_a%wms(iw)%data_area%d%${base1}$_${prec1}$ (first_lb_a:ub_a) = &
3031 matrix_a%wms(iw)%data_area%d%${base1}$_${prec1}$ (first_lb_a:ub_a) = &
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/exts/dbcsr/src/ops/
H A Ddbcsr_operations.F3051 INTEGER :: ub_a, ub_b local
3053 ub_a = first_lb_a + nze - 1
3060 matrix_a%data_area%d%${base1}$_${prec1}$ (first_lb_a:ub_a), 1)
3062 matrix_a%data_area%d%${base1}$_${prec1}$ (first_lb_a:ub_a) = &
3063 matrix_a%data_area%d%${base1}$_${prec1}$ (first_lb_a:ub_a) + &
3068 matrix_a%wms(iw)%data_area%d%${base1}$_${prec1}$ (first_lb_a:ub_a) = &
3072 matrix_a%wms(iw)%data_area%d%${base1}$_${prec1}$ (first_lb_a:ub_a) = &