/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | force_field_types.F | 64 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)
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H A D | topology_connectivity_util.F | 649 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
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H A D | topology_types.F | 53 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)
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H A D | force_fields_ext.F | 461 CALL reallocate(chm_info%ub_b, 1, nub) 466 chm_info%ub_b(nub) = string2 472 TRIM(chm_info%ub_b(nub)), " ", &
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H A D | force_fields_input.F | 380 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))
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H A D | topology_psf.F | 473 CALL reallocate(conn_info%ub_b, 1, ntheta) 476 conn_info%ub_b(:) = conn_info%theta_b(:)
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H A D | force_fields_all.F | 1176 ((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. &
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H A D | topology_generate_util.F | 1757 CALL reallocate(conn_info%ub_b, 1, ntheta) 1762 conn_info%ub_b(itheta) = conn_info%theta_b(itheta)
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | force_field_types.F | 64 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)
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H A D | topology_connectivity_util.F | 649 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
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H A D | topology_types.F | 53 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)
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H A D | force_fields_ext.F | 461 CALL reallocate(chm_info%ub_b, 1, nub) 466 chm_info%ub_b(nub) = string2 472 TRIM(chm_info%ub_b(nub)), " ", &
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H A D | force_fields_input.F | 380 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))
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H A D | topology_psf.F | 473 CALL reallocate(conn_info%ub_b, 1, ntheta) 476 conn_info%ub_b(:) = conn_info%theta_b(:)
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H A D | force_fields_all.F | 1176 ((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. &
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H A D | topology_generate_util.F | 1757 CALL reallocate(conn_info%ub_b, 1, ntheta) 1762 conn_info%ub_b(itheta) = conn_info%theta_b(itheta)
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/dports/math/gambit/gambit-16.0.1/src/labenski/src/ |
H A D | sheetsel.cpp | 323 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()
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/dports/math/dbcsr/dbcsr-2.1.0/src/ops/ |
H A D | dbcsr_operations.F | 3010 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)
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/exts/dbcsr/src/ops/ |
H A D | dbcsr_operations.F | 3051 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)
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