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/*******************************************************************************/ / / These are the examples of ABACUS program. / /*******************************************************************************/ This is a BSSE example. STRU_0: E(H2O) STRU_1: E(O) STRU_2: E(H^1) STRU_3: E(H^2) Delta_H2O = E(H2O) - E(O) - E(H^1) - E(H^2)