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Searched refs:ub_b (Results 1 – 19 of 19) sorted by relevance

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dforce_field_types.F64 CHARACTER(LEN=default_string_length), POINTER :: ub_b(:) component
108 CHARACTER(LEN=default_string_length), POINTER :: ub_b(:) component
308 NULLIFY (chm_info%ub_b)
403 NULLIFY (inp_info%ub_b)
593 IF (ASSOCIATED(chm_info%ub_b)) THEN
594 DEALLOCATE (chm_info%ub_b)
841 IF (ASSOCIATED(inp_info%ub_b)) THEN
842 DEALLOCATE (inp_info%ub_b)
H A Dtopology_connectivity_util.F649 j2 = map_atom_mol(conn_info%ub_b(j))
661 j2 = map_atom_mol(conn_info%ub_b(j))
666 c_var_b(idim) = conn_info%ub_b(j)
687 j2 = map_atom_mol(conn_info%ub_b(i))
725 ub_list(iub)%b = conn_info%ub_b(jind) - first + 1
734 conn_info%ub_b(jind), &
738 conn_info%ub_b(jind) - first + 1, &
1309 CALL reallocate(conn_info%ub_b, 1, nub*fac)
1368 conn_info%ub_b(m + 1:m + nub) = conn_info%ub_b(1:nub) + a
H A Dtopology_types.F53 INTEGER, POINTER :: ub_a(:), ub_b(:), ub_c(:) component
271 NULLIFY (topology%conn_info%ub_b)
459 IF (ASSOCIATED(topology%conn_info%ub_b)) THEN
460 DEALLOCATE (topology%conn_info%ub_b)
H A Dforce_fields_ext.F461 CALL reallocate(chm_info%ub_b, 1, nub)
466 chm_info%ub_b(nub) = string2
472 TRIM(chm_info%ub_b(nub)), " ", &
H A Dforce_fields_input.F380 CALL reallocate(inp_info%ub_b, 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
1755 ub_b(start + isec) = atm_names(2)
1758 CALL uppercase(ub_b(start + isec))
H A Dtopology_psf.F473 CALL reallocate(conn_info%ub_b, 1, ntheta)
476 conn_info%ub_b(:) = conn_info%theta_b(:)
H A Dforce_fields_all.F1176 ((chm_info%ub_b(k)) == (name_atm_b)) .AND. &
1179 ((chm_info%ub_b(k)) == (name_atm_b)) .AND. &
1201 ((inp_info%ub_b(k)) == (name_atm_b)) .AND. &
1204 ((inp_info%ub_b(k)) == (name_atm_b)) .AND. &
H A Dtopology_generate_util.F1757 CALL reallocate(conn_info%ub_b, 1, ntheta)
1762 conn_info%ub_b(itheta) = conn_info%theta_b(itheta)
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dforce_field_types.F64 CHARACTER(LEN=default_string_length), POINTER :: ub_b(:) component
108 CHARACTER(LEN=default_string_length), POINTER :: ub_b(:) component
308 NULLIFY (chm_info%ub_b)
403 NULLIFY (inp_info%ub_b)
593 IF (ASSOCIATED(chm_info%ub_b)) THEN
594 DEALLOCATE (chm_info%ub_b)
841 IF (ASSOCIATED(inp_info%ub_b)) THEN
842 DEALLOCATE (inp_info%ub_b)
H A Dtopology_connectivity_util.F649 j2 = map_atom_mol(conn_info%ub_b(j))
661 j2 = map_atom_mol(conn_info%ub_b(j))
666 c_var_b(idim) = conn_info%ub_b(j)
687 j2 = map_atom_mol(conn_info%ub_b(i))
725 ub_list(iub)%b = conn_info%ub_b(jind) - first + 1
734 conn_info%ub_b(jind), &
738 conn_info%ub_b(jind) - first + 1, &
1309 CALL reallocate(conn_info%ub_b, 1, nub*fac)
1368 conn_info%ub_b(m + 1:m + nub) = conn_info%ub_b(1:nub) + a
H A Dtopology_types.F53 INTEGER, POINTER :: ub_a(:), ub_b(:), ub_c(:) component
271 NULLIFY (topology%conn_info%ub_b)
459 IF (ASSOCIATED(topology%conn_info%ub_b)) THEN
460 DEALLOCATE (topology%conn_info%ub_b)
H A Dforce_fields_ext.F461 CALL reallocate(chm_info%ub_b, 1, nub)
466 chm_info%ub_b(nub) = string2
472 TRIM(chm_info%ub_b(nub)), " ", &
H A Dforce_fields_input.F380 CALL reallocate(inp_info%ub_b, 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
1755 ub_b(start + isec) = atm_names(2)
1758 CALL uppercase(ub_b(start + isec))
H A Dtopology_psf.F473 CALL reallocate(conn_info%ub_b, 1, ntheta)
476 conn_info%ub_b(:) = conn_info%theta_b(:)
H A Dforce_fields_all.F1176 ((chm_info%ub_b(k)) == (name_atm_b)) .AND. &
1179 ((chm_info%ub_b(k)) == (name_atm_b)) .AND. &
1201 ((inp_info%ub_b(k)) == (name_atm_b)) .AND. &
1204 ((inp_info%ub_b(k)) == (name_atm_b)) .AND. &
H A Dtopology_generate_util.F1757 CALL reallocate(conn_info%ub_b, 1, ntheta)
1762 conn_info%ub_b(itheta) = conn_info%theta_b(itheta)
/dports/math/gambit/gambit-16.0.1/src/labenski/src/
H A Dsheetsel.cpp323 const int ub_b = uBlock.GetBottom(); in Combine() local
329 ( ((ub_b==b)&&(ub_l==l)) || ((ub_b==b_b)&&(ub_l==b_l)) ) && in Combine()
330 ( ((ub_b==b)&&(ub_r==r)) || ((ub_b==b_b)&&(ub_r==b_r)) ) ) in Combine()
/dports/math/dbcsr/dbcsr-2.1.0/src/ops/
H A Ddbcsr_operations.F3010 INTEGER :: ub_a, ub_b local
3013 ub_b = first_lb_b + nze - 1
3018 matrix_b%data_area%d%${base1}$_${prec1}$ (first_lb_b:ub_b), 1, &
3023 matrix_b%data_area%d%${base1}$_${prec1}$ (first_lb_b:ub_b)
3029 matrix_b%data_area%d%${base1}$_${prec1}$ (first_lb_b:ub_b)
3032 matrix_b%data_area%d%${base1}$_${prec1}$ (first_lb_b:ub_b)
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/exts/dbcsr/src/ops/
H A Ddbcsr_operations.F3051 INTEGER :: ub_a, ub_b local
3054 ub_b = first_lb_b + nze - 1
3059 matrix_b%data_area%d%${base1}$_${prec1}$ (first_lb_b:ub_b), 1, &
3064 matrix_b%data_area%d%${base1}$_${prec1}$ (first_lb_b:ub_b)
3070 matrix_b%data_area%d%${base1}$_${prec1}$ (first_lb_b:ub_b)
3073 matrix_b%data_area%d%${base1}$_${prec1}$ (first_lb_b:ub_b)