Home
last modified time | relevance | path

Searched refs:c_bond_b (Results 1 – 10 of 10) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dtopology_types.F58 INTEGER, POINTER :: c_bond_a(:), c_bond_b(:), c_bond_type(:) component
290 NULLIFY (topology%conn_info%c_bond_b)
516 IF (ASSOCIATED(topology%conn_info%c_bond_b)) THEN
517 DEALLOCATE (topology%conn_info%c_bond_b)
H A Dtopology_connectivity_util.F376 min_index = MIN(conn_info%c_bond_a(i), conn_info%c_bond_b(i))
430 min_index = MIN(conn_info%c_bond_a(jind), conn_info%c_bond_b(jind))
433 bond_list(ibond)%b = conn_info%c_bond_b(jind) - first + 1
445 conn_info%c_bond_b(jind), &
448 conn_info%c_bond_b(jind) - first + 1
1302 CALL reallocate(conn_info%c_bond_b, 1, nbond_c*fac)
1362 conn_info%c_bond_b(m + 1:m + nbond_c) = conn_info%c_bond_b(1:nbond_c) + a
H A Dtopology_gromos.F593 CALL reallocate(conn_info%c_bond_b, 1, i)
596 conn_info%c_bond_b(i) = jatom
H A Dtopology_psf.F457 CALL reallocate(conn_info%c_bond_b, 1, i)
459 conn_info%c_bond_b(i) = jatom
H A Dtopology_generate_util.F894 CALL reallocate(conn_info%c_bond_b, 1, 0)
906 CALL reallocate(conn_info%c_bond_b, 1, cbond)
908 conn_info%c_bond_b(cbond) = jatom
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dtopology_types.F58 INTEGER, POINTER :: c_bond_a(:), c_bond_b(:), c_bond_type(:) component
290 NULLIFY (topology%conn_info%c_bond_b)
516 IF (ASSOCIATED(topology%conn_info%c_bond_b)) THEN
517 DEALLOCATE (topology%conn_info%c_bond_b)
H A Dtopology_connectivity_util.F376 min_index = MIN(conn_info%c_bond_a(i), conn_info%c_bond_b(i))
430 min_index = MIN(conn_info%c_bond_a(jind), conn_info%c_bond_b(jind))
433 bond_list(ibond)%b = conn_info%c_bond_b(jind) - first + 1
445 conn_info%c_bond_b(jind), &
448 conn_info%c_bond_b(jind) - first + 1
1302 CALL reallocate(conn_info%c_bond_b, 1, nbond_c*fac)
1362 conn_info%c_bond_b(m + 1:m + nbond_c) = conn_info%c_bond_b(1:nbond_c) + a
H A Dtopology_psf.F457 CALL reallocate(conn_info%c_bond_b, 1, i)
459 conn_info%c_bond_b(i) = jatom
H A Dtopology_gromos.F593 CALL reallocate(conn_info%c_bond_b, 1, i)
596 conn_info%c_bond_b(i) = jatom
H A Dtopology_generate_util.F894 CALL reallocate(conn_info%c_bond_b, 1, 0)
906 CALL reallocate(conn_info%c_bond_b, 1, cbond)
908 conn_info%c_bond_b(cbond) = jatom