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

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dforce_field_types.F65 CHARACTER(LEN=default_string_length), POINTER :: ub_c(:) component
109 CHARACTER(LEN=default_string_length), POINTER :: ub_c(:) component
309 NULLIFY (chm_info%ub_c)
404 NULLIFY (inp_info%ub_c)
596 IF (ASSOCIATED(chm_info%ub_c)) THEN
597 DEALLOCATE (chm_info%ub_c)
844 IF (ASSOCIATED(inp_info%ub_c)) THEN
845 DEALLOCATE (inp_info%ub_c)
H A Dtopology_connectivity_util.F650 j3 = map_atom_mol(conn_info%ub_c(j))
662 j3 = map_atom_mol(conn_info%ub_c(j))
667 c_var_c(idim) = conn_info%ub_c(j)
688 j3 = map_atom_mol(conn_info%ub_c(i))
726 ub_list(iub)%c = conn_info%ub_c(jind) - first + 1
735 conn_info%ub_c(jind), &
739 conn_info%ub_c(jind) - first + 1
1310 CALL reallocate(conn_info%ub_c, 1, nub*fac)
1369 conn_info%ub_c(m + 1:m + nub) = conn_info%ub_c(1:nub) + a
H A Dtopology_types.F53 INTEGER, POINTER :: ub_a(:), ub_b(:), ub_c(:) component
272 NULLIFY (topology%conn_info%ub_c)
462 IF (ASSOCIATED(topology%conn_info%ub_c)) THEN
463 DEALLOCATE (topology%conn_info%ub_c)
H A Dforce_fields_ext.F462 CALL reallocate(chm_info%ub_c, 1, nub)
467 chm_info%ub_c(nub) = string3
473 TRIM(chm_info%ub_c(nub)), " ", &
H A Dforce_fields_input.F381 CALL reallocate(inp_info%ub_c, 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
1756 ub_c(start + isec) = atm_names(3)
1759 CALL uppercase(ub_c(start + isec))
H A Dtopology_psf.F474 CALL reallocate(conn_info%ub_c, 1, ntheta)
477 conn_info%ub_c(:) = conn_info%theta_c(:)
H A Dforce_fields_all.F1177 ((chm_info%ub_c(k)) == (name_atm_c))) .OR. &
1180 ((chm_info%ub_c(k)) == (name_atm_a)))) THEN
1202 ((inp_info%ub_c(k)) == (name_atm_c))) .OR. &
1205 ((inp_info%ub_c(k)) == (name_atm_a)))) THEN
H A Dtopology_generate_util.F1758 CALL reallocate(conn_info%ub_c, 1, ntheta)
1763 conn_info%ub_c(itheta) = conn_info%theta_c(itheta)
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dforce_field_types.F65 CHARACTER(LEN=default_string_length), POINTER :: ub_c(:) component
109 CHARACTER(LEN=default_string_length), POINTER :: ub_c(:) component
309 NULLIFY (chm_info%ub_c)
404 NULLIFY (inp_info%ub_c)
596 IF (ASSOCIATED(chm_info%ub_c)) THEN
597 DEALLOCATE (chm_info%ub_c)
844 IF (ASSOCIATED(inp_info%ub_c)) THEN
845 DEALLOCATE (inp_info%ub_c)
H A Dtopology_connectivity_util.F650 j3 = map_atom_mol(conn_info%ub_c(j))
662 j3 = map_atom_mol(conn_info%ub_c(j))
667 c_var_c(idim) = conn_info%ub_c(j)
688 j3 = map_atom_mol(conn_info%ub_c(i))
726 ub_list(iub)%c = conn_info%ub_c(jind) - first + 1
735 conn_info%ub_c(jind), &
739 conn_info%ub_c(jind) - first + 1
1310 CALL reallocate(conn_info%ub_c, 1, nub*fac)
1369 conn_info%ub_c(m + 1:m + nub) = conn_info%ub_c(1:nub) + a
H A Dtopology_types.F53 INTEGER, POINTER :: ub_a(:), ub_b(:), ub_c(:) component
272 NULLIFY (topology%conn_info%ub_c)
462 IF (ASSOCIATED(topology%conn_info%ub_c)) THEN
463 DEALLOCATE (topology%conn_info%ub_c)
H A Dforce_fields_ext.F462 CALL reallocate(chm_info%ub_c, 1, nub)
467 chm_info%ub_c(nub) = string3
473 TRIM(chm_info%ub_c(nub)), " ", &
H A Dforce_fields_input.F381 CALL reallocate(inp_info%ub_c, 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
1756 ub_c(start + isec) = atm_names(3)
1759 CALL uppercase(ub_c(start + isec))
H A Dtopology_psf.F474 CALL reallocate(conn_info%ub_c, 1, ntheta)
477 conn_info%ub_c(:) = conn_info%theta_c(:)
H A Dforce_fields_all.F1177 ((chm_info%ub_c(k)) == (name_atm_c))) .OR. &
1180 ((chm_info%ub_c(k)) == (name_atm_a)))) THEN
1202 ((inp_info%ub_c(k)) == (name_atm_c))) .OR. &
1205 ((inp_info%ub_c(k)) == (name_atm_a)))) THEN
H A Dtopology_generate_util.F1758 CALL reallocate(conn_info%ub_c, 1, ntheta)
1763 conn_info%ub_c(itheta) = conn_info%theta_c(itheta)
/dports/databases/percona-toolkit/percona-toolkit-3.3.0/t/lib/samples/
H A Dissue_9-6.sql12 UNIQUE KEY `ub_c` (`b`,`c`),
/dports/devel/ppl/ppl-1.2/src/
H A DPolyhedron_nonpublic.cc1944 const Constraint& ub_c = ub_cs[i]; in BHZ09_NNC_poly_hull_assign_if_exact() local
1950 const int sp_sign = Scalar_Products::reduced_sign(ub_c, x_cp); in BHZ09_NNC_poly_hull_assign_if_exact()
1961 const int sp_sign = Scalar_Products::reduced_sign(ub_c, y_cp); in BHZ09_NNC_poly_hull_assign_if_exact()