12
12
if(params.ref == 0 || params.ref == 1) { /** RHF/ROHF **/
14
dpd_file2_init(&LIA, CC_OEI, L_irr, 0, 1, "New LIA");
15
dpd_file2_init(&Lia, CC_OEI, L_irr, 0, 1, "New Lia");
14
dpd_file2_init(&LIA, CC_LAMBDA, L_irr, 0, 1, "New LIA");
15
dpd_file2_init(&Lia, CC_LAMBDA, L_irr, 0, 1, "New Lia");
16
16
dpd_buf4_init(&LIJAB, CC_LAMBDA, L_irr, 2, 7, 2, 7, 0, "New LIJAB");
17
17
dpd_buf4_init(&Lijab, CC_LAMBDA, L_irr, 2, 7, 2, 7, 0, "New Lijab");
18
18
dpd_buf4_init(&LIjAb, CC_LAMBDA, L_irr, 0, 5, 0, 5, 0, "New LIjAb");