3
#include <libdpd/dpd.h>
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if(params.ref == 0) { /** RHF **/
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dpd_buf4_init(&t2, CC_TAMPS, 0, 0, 5, 0, 5, 0, "tIjAb");
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dpd_buf4_sort(&t2, CC_TAMPS, qpsr, 0, 5, "tiJaB");
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dpd_buf4_init(&t2, CC_TAMPS, 0, 0, 5, 0, 5, 0, "tIjAb");
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dpd_buf4_sort(&t2, CC_TAMPS, prqs, 10, 10, "tIAjb");
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dpd_buf4_init(&t2, CC_TAMPS, 0, 10, 10, 10, 10, 0, "tIAjb");
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dpd_buf4_sort(&t2, CC_TAMPS, rspq, 10, 10, "tiaJB");
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dpd_buf4_init(&t2, CC_TAMPS, 0, 10, 10, 10, 10, 0, "tIAjb");
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dpd_buf4_sort(&t2, CC_TAMPS, psrq, 10, 10, "tIbjA");
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dpd_buf4_init(&t2, CC_TAMPS, 0, 10, 10, 10, 10, 0, "tIbjA");
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dpd_buf4_sort(&t2, CC_TAMPS, rspq, 10, 10, "tjAIb");
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/* 2 T(IA,jb) - t(IB,ja) */
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dpd_buf4_init(&t2, CC_TAMPS, 0, 10, 10, 10, 10, 0, "tIAjb");
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dpd_buf4_scmcopy(&t2, CC_TAMPS, "2 tIAjb - tIBja", 2);
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dpd_buf4_init(&t2, CC_TAMPS, 0, 10, 10, 10, 10, 0, "2 tIAjb - tIBja");
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dpd_buf4_init(&t2B, CC_TAMPS, 0, 10, 10, 10, 10, 0, "tIbjA");
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dpd_buf4_axpy(&t2B, &t2, -1);
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else if(params.ref == 1) { /** ROHF **/
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dpd_buf4_init(&t2, CC_TAMPS, 0, 0, 5, 0, 5, 0, "tIjAb");
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dpd_buf4_sort(&t2, CC_TAMPS, qpsr, 0, 5, "tiJaB");
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dpd_buf4_init(&t2, CC_TAMPS, 0, 0, 5, 2, 7, 0, "tIJAB");
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dpd_buf4_sort(&t2, CC_TAMPS, prqs, 10, 10, "tIAJB");
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dpd_buf4_init(&t2, CC_TAMPS, 0, 0, 5, 2, 7, 0, "tijab");
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dpd_buf4_sort(&t2, CC_TAMPS, prqs, 10, 10, "tiajb");
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dpd_buf4_init(&t2, CC_TAMPS, 0, 0, 5, 0, 5, 0, "tIjAb");
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dpd_buf4_sort(&t2, CC_TAMPS, prqs, 10, 10, "tIAjb");
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dpd_buf4_init(&t2, CC_TAMPS, 0, 10, 10, 10, 10, 0, "tIAjb");
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dpd_buf4_sort(&t2, CC_TAMPS, rspq, 10, 10, "tiaJB");
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dpd_buf4_init(&t2, CC_TAMPS, 0, 10, 10, 10, 10, 0, "tIAjb");
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dpd_buf4_sort(&t2, CC_TAMPS, psrq, 10, 10, "tIbjA");
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dpd_buf4_init(&t2, CC_TAMPS, 0, 10, 10, 10, 10, 0, "tIbjA");
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dpd_buf4_sort(&t2, CC_TAMPS, rspq, 10, 10, "tjAIb");
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else if(params.ref == 2) { /*** UHF ***/
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dpd_buf4_init(&t2, CC_TAMPS, 0, 0, 5, 2, 7, 0, "tIJAB");
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dpd_buf4_sort(&t2, CC_TAMPS, prqs, 20, 20, "tIAJB");
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dpd_buf4_init(&t2, CC_TAMPS, 0, 10, 15, 12, 17, 0, "tijab");
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dpd_buf4_sort(&t2, CC_TAMPS, prqs, 30, 30, "tiajb");
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dpd_buf4_init(&t2, CC_TAMPS, 0, 22, 28, 22, 28, 0, "tIjAb");
98
dpd_buf4_sort(&t2, CC_TAMPS, prqs, 20, 30, "tIAjb");
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dpd_buf4_init(&t2, CC_TAMPS, 0, 20, 30, 20, 30, 0, "tIAjb");
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dpd_buf4_sort(&t2, CC_TAMPS, rspq, 30, 20, "tiaJB");
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/* TIjAb (Ib,jA) (Wmbej.c) */
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dpd_buf4_sort(&t2, CC_TAMPS, psrq, 24, 27, "tIbjA");
108
/* TiJaB (iB,Ja) (Wmbej.c) */
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dpd_buf4_init(&t2, CC_TAMPS, 0, 24, 27, 24, 27, 0, "tIbjA");
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dpd_buf4_sort(&t2, CC_TAMPS, rspq, 27, 24, "tiBJa");
114
dpd_buf4_init(&t2, CC_TAMPS, 0, 22, 28, 22, 28, 0, "tIjAb");
115
dpd_buf4_sort(&t2, CC_TAMPS, qpsr, 23, 29, "tiJaB");