Searched refs:c_bond_b (Results 1 – 10 of 10) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | topology_types.F | 58 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)
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H A D | topology_connectivity_util.F | 376 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
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H A D | topology_gromos.F | 593 CALL reallocate(conn_info%c_bond_b, 1, i) 596 conn_info%c_bond_b(i) = jatom
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H A D | topology_psf.F | 457 CALL reallocate(conn_info%c_bond_b, 1, i) 459 conn_info%c_bond_b(i) = jatom
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H A D | topology_generate_util.F | 894 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
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | topology_types.F | 58 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)
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H A D | topology_connectivity_util.F | 376 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
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H A D | topology_psf.F | 457 CALL reallocate(conn_info%c_bond_b, 1, i) 459 conn_info%c_bond_b(i) = jatom
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H A D | topology_gromos.F | 593 CALL reallocate(conn_info%c_bond_b, 1, i) 596 conn_info%c_bond_b(i) = jatom
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H A D | topology_generate_util.F | 894 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
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