/dports/science/simint/simint-v0.8/simint/ostei/gen/ |
H A D | ostei_d_s_h_d.c | 468 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z; in ostei_s_d_h_d() 469 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z; in ostei_s_d_h_d() 470 P_tmp.AB_x = P_AB; in ostei_s_d_h_d() 471 P_tmp.AB_y = P_AB + P.nshell12; in ostei_s_d_h_d() 476 P_tmp.AB_x[i] = -P.AB_x[i]; in ostei_s_d_h_d() 477 P_tmp.AB_y[i] = -P.AB_y[i]; in ostei_s_d_h_d() 478 P_tmp.AB_z[i] = -P.AB_z[i]; in ostei_s_d_h_d() 546 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z; in ostei_s_d_d_h() 547 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z; in ostei_s_d_d_h() 548 P_tmp.AB_x = P_AB; in ostei_s_d_d_h() [all …]
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H A D | ostei_d_s_i_d.c | 463 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z; in ostei_s_d_i_d() 464 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z; in ostei_s_d_i_d() 465 P_tmp.AB_x = P_AB; in ostei_s_d_i_d() 466 P_tmp.AB_y = P_AB + P.nshell12; in ostei_s_d_i_d() 471 P_tmp.AB_x[i] = -P.AB_x[i]; in ostei_s_d_i_d() 472 P_tmp.AB_y[i] = -P.AB_y[i]; in ostei_s_d_i_d() 473 P_tmp.AB_z[i] = -P.AB_z[i]; in ostei_s_d_i_d() 541 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z; in ostei_s_d_d_i() 542 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z; in ostei_s_d_d_i() 543 P_tmp.AB_x = P_AB; in ostei_s_d_d_i() [all …]
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H A D | ostei_d_s_i_f.c | 504 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z; in ostei_s_d_i_f() 505 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z; in ostei_s_d_i_f() 506 P_tmp.AB_x = P_AB; in ostei_s_d_i_f() 507 P_tmp.AB_y = P_AB + P.nshell12; in ostei_s_d_i_f() 512 P_tmp.AB_x[i] = -P.AB_x[i]; in ostei_s_d_i_f() 513 P_tmp.AB_y[i] = -P.AB_y[i]; in ostei_s_d_i_f() 514 P_tmp.AB_z[i] = -P.AB_z[i]; in ostei_s_d_i_f() 582 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z; in ostei_s_d_f_i() 583 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z; in ostei_s_d_f_i() 584 P_tmp.AB_x = P_AB; in ostei_s_d_f_i() [all …]
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H A D | ostei_f_p_j_s.c | 476 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z; in ostei_p_f_k_s() 477 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z; in ostei_p_f_k_s() 478 P_tmp.AB_x = P_AB; in ostei_p_f_k_s() 479 P_tmp.AB_y = P_AB + P.nshell12; in ostei_p_f_k_s() 484 P_tmp.AB_x[i] = -P.AB_x[i]; in ostei_p_f_k_s() 485 P_tmp.AB_y[i] = -P.AB_y[i]; in ostei_p_f_k_s() 486 P_tmp.AB_z[i] = -P.AB_z[i]; in ostei_p_f_k_s() 554 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z; in ostei_p_f_s_k() 555 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z; in ostei_p_f_s_k() 556 P_tmp.AB_x = P_AB; in ostei_p_f_s_k() [all …]
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H A D | ostei_g_d_d_s.c | 474 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z; in ostei_d_g_d_s() 475 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z; in ostei_d_g_d_s() 476 P_tmp.AB_x = P_AB; in ostei_d_g_d_s() 477 P_tmp.AB_y = P_AB + P.nshell12; in ostei_d_g_d_s() 482 P_tmp.AB_x[i] = -P.AB_x[i]; in ostei_d_g_d_s() 483 P_tmp.AB_y[i] = -P.AB_y[i]; in ostei_d_g_d_s() 484 P_tmp.AB_z[i] = -P.AB_z[i]; in ostei_d_g_d_s() 552 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z; in ostei_d_g_s_d() 553 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z; in ostei_d_g_s_d() 554 P_tmp.AB_x = P_AB; in ostei_d_g_s_d() [all …]
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H A D | ostei_d_p_h_s.c | 479 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z; in ostei_p_d_h_s() 480 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z; in ostei_p_d_h_s() 481 P_tmp.AB_x = P_AB; in ostei_p_d_h_s() 482 P_tmp.AB_y = P_AB + P.nshell12; in ostei_p_d_h_s() 487 P_tmp.AB_x[i] = -P.AB_x[i]; in ostei_p_d_h_s() 488 P_tmp.AB_y[i] = -P.AB_y[i]; in ostei_p_d_h_s() 489 P_tmp.AB_z[i] = -P.AB_z[i]; in ostei_p_d_h_s() 557 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z; in ostei_p_d_s_h() 558 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z; in ostei_p_d_s_h() 559 P_tmp.AB_x = P_AB; in ostei_p_d_s_h() [all …]
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H A D | ostei_d_s_g_d.c | 474 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z; in ostei_s_d_g_d() 475 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z; in ostei_s_d_g_d() 476 P_tmp.AB_x = P_AB; in ostei_s_d_g_d() 477 P_tmp.AB_y = P_AB + P.nshell12; in ostei_s_d_g_d() 482 P_tmp.AB_x[i] = -P.AB_x[i]; in ostei_s_d_g_d() 483 P_tmp.AB_y[i] = -P.AB_y[i]; in ostei_s_d_g_d() 484 P_tmp.AB_z[i] = -P.AB_z[i]; in ostei_s_d_g_d() 552 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z; in ostei_s_d_d_g() 553 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z; in ostei_s_d_d_g() 554 P_tmp.AB_x = P_AB; in ostei_s_d_d_g() [all …]
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H A D | ostei_d_s_j_d.c | 466 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z; in ostei_s_d_k_d() 467 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z; in ostei_s_d_k_d() 468 P_tmp.AB_x = P_AB; in ostei_s_d_k_d() 469 P_tmp.AB_y = P_AB + P.nshell12; in ostei_s_d_k_d() 474 P_tmp.AB_x[i] = -P.AB_x[i]; in ostei_s_d_k_d() 475 P_tmp.AB_y[i] = -P.AB_y[i]; in ostei_s_d_k_d() 476 P_tmp.AB_z[i] = -P.AB_z[i]; in ostei_s_d_k_d() 544 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z; in ostei_s_d_d_k() 545 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z; in ostei_s_d_d_k() 546 P_tmp.AB_x = P_AB; in ostei_s_d_d_k() [all …]
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H A D | ostei_d_s_j_f.c | 507 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z; in ostei_s_d_k_f() 508 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z; in ostei_s_d_k_f() 509 P_tmp.AB_x = P_AB; in ostei_s_d_k_f() 510 P_tmp.AB_y = P_AB + P.nshell12; in ostei_s_d_k_f() 515 P_tmp.AB_x[i] = -P.AB_x[i]; in ostei_s_d_k_f() 516 P_tmp.AB_y[i] = -P.AB_y[i]; in ostei_s_d_k_f() 517 P_tmp.AB_z[i] = -P.AB_z[i]; in ostei_s_d_k_f() 585 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z; in ostei_s_d_f_k() 586 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z; in ostei_s_d_f_k() 587 P_tmp.AB_x = P_AB; in ostei_s_d_f_k() [all …]
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H A D | ostei_f_p_i_s.c | 478 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z; in ostei_p_f_i_s() 479 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z; in ostei_p_f_i_s() 480 P_tmp.AB_x = P_AB; in ostei_p_f_i_s() 481 P_tmp.AB_y = P_AB + P.nshell12; in ostei_p_f_i_s() 486 P_tmp.AB_x[i] = -P.AB_x[i]; in ostei_p_f_i_s() 487 P_tmp.AB_y[i] = -P.AB_y[i]; in ostei_p_f_i_s() 488 P_tmp.AB_z[i] = -P.AB_z[i]; in ostei_p_f_i_s() 556 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z; in ostei_p_f_s_i() 557 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z; in ostei_p_f_s_i() 558 P_tmp.AB_x = P_AB; in ostei_p_f_s_i() [all …]
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H A D | ostei_g_f_p_s.c | 473 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z; in ostei_f_g_p_s() 474 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z; in ostei_f_g_p_s() 475 P_tmp.AB_x = P_AB; in ostei_f_g_p_s() 476 P_tmp.AB_y = P_AB + P.nshell12; in ostei_f_g_p_s() 481 P_tmp.AB_x[i] = -P.AB_x[i]; in ostei_f_g_p_s() 482 P_tmp.AB_y[i] = -P.AB_y[i]; in ostei_f_g_p_s() 483 P_tmp.AB_z[i] = -P.AB_z[i]; in ostei_f_g_p_s() 551 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z; in ostei_f_g_s_p() 552 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z; in ostei_f_g_s_p() 553 P_tmp.AB_x = P_AB; in ostei_f_g_s_p() [all …]
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H A D | ostei_g_s_f_s.c | 465 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z; in ostei_s_g_f_s() 466 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z; in ostei_s_g_f_s() 467 P_tmp.AB_x = P_AB; in ostei_s_g_f_s() 468 P_tmp.AB_y = P_AB + P.nshell12; in ostei_s_g_f_s() 473 P_tmp.AB_x[i] = -P.AB_x[i]; in ostei_s_g_f_s() 474 P_tmp.AB_y[i] = -P.AB_y[i]; in ostei_s_g_f_s() 475 P_tmp.AB_z[i] = -P.AB_z[i]; in ostei_s_g_f_s() 517 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z; in ostei_s_g_s_f() 518 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z; in ostei_s_g_s_f() 519 P_tmp.AB_x = P_AB; in ostei_s_g_s_f() [all …]
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H A D | ostei_d_p_i_s.c | 477 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z; in ostei_p_d_i_s() 478 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z; in ostei_p_d_i_s() 479 P_tmp.AB_x = P_AB; in ostei_p_d_i_s() 480 P_tmp.AB_y = P_AB + P.nshell12; in ostei_p_d_i_s() 485 P_tmp.AB_x[i] = -P.AB_x[i]; in ostei_p_d_i_s() 486 P_tmp.AB_y[i] = -P.AB_y[i]; in ostei_p_d_i_s() 487 P_tmp.AB_z[i] = -P.AB_z[i]; in ostei_p_d_i_s() 555 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z; in ostei_p_d_s_i() 556 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z; in ostei_p_d_s_i() 557 P_tmp.AB_x = P_AB; in ostei_p_d_s_i() [all …]
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H A D | ostei_d_p_j_s.c | 472 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z; in ostei_p_d_k_s() 473 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z; in ostei_p_d_k_s() 474 P_tmp.AB_x = P_AB; in ostei_p_d_k_s() 475 P_tmp.AB_y = P_AB + P.nshell12; in ostei_p_d_k_s() 480 P_tmp.AB_x[i] = -P.AB_x[i]; in ostei_p_d_k_s() 481 P_tmp.AB_y[i] = -P.AB_y[i]; in ostei_p_d_k_s() 482 P_tmp.AB_z[i] = -P.AB_z[i]; in ostei_p_d_k_s() 550 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z; in ostei_p_d_s_k() 551 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z; in ostei_p_d_s_k() 552 P_tmp.AB_x = P_AB; in ostei_p_d_s_k() [all …]
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H A D | ostei_i_g_p_s.c | 506 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z; in ostei_g_i_p_s() 507 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z; in ostei_g_i_p_s() 508 P_tmp.AB_x = P_AB; in ostei_g_i_p_s() 509 P_tmp.AB_y = P_AB + P.nshell12; in ostei_g_i_p_s() 514 P_tmp.AB_x[i] = -P.AB_x[i]; in ostei_g_i_p_s() 515 P_tmp.AB_y[i] = -P.AB_y[i]; in ostei_g_i_p_s() 516 P_tmp.AB_z[i] = -P.AB_z[i]; in ostei_g_i_p_s() 584 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z; in ostei_g_i_s_p() 585 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z; in ostei_g_i_s_p() 586 P_tmp.AB_x = P_AB; in ostei_g_i_s_p() [all …]
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H A D | ostei_i_s_d_p.c | 476 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z; in ostei_s_i_d_p() 477 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z; in ostei_s_i_d_p() 478 P_tmp.AB_x = P_AB; in ostei_s_i_d_p() 479 P_tmp.AB_y = P_AB + P.nshell12; in ostei_s_i_d_p() 484 P_tmp.AB_x[i] = -P.AB_x[i]; in ostei_s_i_d_p() 485 P_tmp.AB_y[i] = -P.AB_y[i]; in ostei_s_i_d_p() 486 P_tmp.AB_z[i] = -P.AB_z[i]; in ostei_s_i_d_p() 554 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z; in ostei_s_i_p_d() 555 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z; in ostei_s_i_p_d() 556 P_tmp.AB_x = P_AB; in ostei_s_i_p_d() [all …]
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H A D | ostei_j_d_f_s.c | 503 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z; in ostei_d_k_f_s() 504 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z; in ostei_d_k_f_s() 505 P_tmp.AB_x = P_AB; in ostei_d_k_f_s() 506 P_tmp.AB_y = P_AB + P.nshell12; in ostei_d_k_f_s() 511 P_tmp.AB_x[i] = -P.AB_x[i]; in ostei_d_k_f_s() 512 P_tmp.AB_y[i] = -P.AB_y[i]; in ostei_d_k_f_s() 513 P_tmp.AB_z[i] = -P.AB_z[i]; in ostei_d_k_f_s() 581 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z; in ostei_d_k_s_f() 582 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z; in ostei_d_k_s_f() 583 P_tmp.AB_x = P_AB; in ostei_d_k_s_f() [all …]
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H A D | ostei_h_s_d_p.c | 478 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z; in ostei_s_h_d_p() 479 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z; in ostei_s_h_d_p() 480 P_tmp.AB_x = P_AB; in ostei_s_h_d_p() 481 P_tmp.AB_y = P_AB + P.nshell12; in ostei_s_h_d_p() 486 P_tmp.AB_x[i] = -P.AB_x[i]; in ostei_s_h_d_p() 487 P_tmp.AB_y[i] = -P.AB_y[i]; in ostei_s_h_d_p() 488 P_tmp.AB_z[i] = -P.AB_z[i]; in ostei_s_h_d_p() 556 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z; in ostei_s_h_p_d() 557 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z; in ostei_s_h_p_d() 558 P_tmp.AB_x = P_AB; in ostei_s_h_p_d() [all …]
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H A D | ostei_i_p_f_s.c | 465 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z; in ostei_p_i_f_s() 466 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z; in ostei_p_i_f_s() 467 P_tmp.AB_x = P_AB; in ostei_p_i_f_s() 468 P_tmp.AB_y = P_AB + P.nshell12; in ostei_p_i_f_s() 473 P_tmp.AB_x[i] = -P.AB_x[i]; in ostei_p_i_f_s() 474 P_tmp.AB_y[i] = -P.AB_y[i]; in ostei_p_i_f_s() 475 P_tmp.AB_z[i] = -P.AB_z[i]; in ostei_p_i_f_s() 543 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z; in ostei_p_i_s_f() 544 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z; in ostei_p_i_s_f() 545 P_tmp.AB_x = P_AB; in ostei_p_i_s_f() [all …]
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H A D | ostei_i_s_f_p.c | 478 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z; in ostei_s_i_f_p() 479 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z; in ostei_s_i_f_p() 480 P_tmp.AB_x = P_AB; in ostei_s_i_f_p() 481 P_tmp.AB_y = P_AB + P.nshell12; in ostei_s_i_f_p() 486 P_tmp.AB_x[i] = -P.AB_x[i]; in ostei_s_i_f_p() 487 P_tmp.AB_y[i] = -P.AB_y[i]; in ostei_s_i_f_p() 488 P_tmp.AB_z[i] = -P.AB_z[i]; in ostei_s_i_f_p() 556 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z; in ostei_s_i_p_f() 557 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z; in ostei_s_i_p_f() 558 P_tmp.AB_x = P_AB; in ostei_s_i_p_f() [all …]
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H A D | ostei_h_f_p_s.c | 464 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z; in ostei_f_h_p_s() 465 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z; in ostei_f_h_p_s() 466 P_tmp.AB_x = P_AB; in ostei_f_h_p_s() 467 P_tmp.AB_y = P_AB + P.nshell12; in ostei_f_h_p_s() 472 P_tmp.AB_x[i] = -P.AB_x[i]; in ostei_f_h_p_s() 473 P_tmp.AB_y[i] = -P.AB_y[i]; in ostei_f_h_p_s() 474 P_tmp.AB_z[i] = -P.AB_z[i]; in ostei_f_h_p_s() 542 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z; in ostei_f_h_s_p() 543 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z; in ostei_f_h_s_p() 544 P_tmp.AB_x = P_AB; in ostei_f_h_s_p() [all …]
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H A D | ostei_h_p_f_s.c | 467 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z; in ostei_p_h_f_s() 468 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z; in ostei_p_h_f_s() 469 P_tmp.AB_x = P_AB; in ostei_p_h_f_s() 470 P_tmp.AB_y = P_AB + P.nshell12; in ostei_p_h_f_s() 475 P_tmp.AB_x[i] = -P.AB_x[i]; in ostei_p_h_f_s() 476 P_tmp.AB_y[i] = -P.AB_y[i]; in ostei_p_h_f_s() 477 P_tmp.AB_z[i] = -P.AB_z[i]; in ostei_p_h_f_s() 545 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z; in ostei_p_h_s_f() 546 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z; in ostei_p_h_s_f() 547 P_tmp.AB_x = P_AB; in ostei_p_h_s_f() [all …]
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H A D | ostei_h_s_j_s.c | 480 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z; in ostei_s_h_k_s() 481 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z; in ostei_s_h_k_s() 482 P_tmp.AB_x = P_AB; in ostei_s_h_k_s() 483 P_tmp.AB_y = P_AB + P.nshell12; in ostei_s_h_k_s() 488 P_tmp.AB_x[i] = -P.AB_x[i]; in ostei_s_h_k_s() 489 P_tmp.AB_y[i] = -P.AB_y[i]; in ostei_s_h_k_s() 490 P_tmp.AB_z[i] = -P.AB_z[i]; in ostei_s_h_k_s() 532 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z; in ostei_s_h_s_k() 533 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z; in ostei_s_h_s_k() 534 P_tmp.AB_x = P_AB; in ostei_s_h_s_k() [all …]
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H A D | ostei_i_f_p_s.c | 467 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z; in ostei_f_i_p_s() 468 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z; in ostei_f_i_p_s() 469 P_tmp.AB_x = P_AB; in ostei_f_i_p_s() 470 P_tmp.AB_y = P_AB + P.nshell12; in ostei_f_i_p_s() 475 P_tmp.AB_x[i] = -P.AB_x[i]; in ostei_f_i_p_s() 476 P_tmp.AB_y[i] = -P.AB_y[i]; in ostei_f_i_p_s() 477 P_tmp.AB_z[i] = -P.AB_z[i]; in ostei_f_i_p_s() 545 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z; in ostei_f_i_s_p() 546 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z; in ostei_f_i_s_p() 547 P_tmp.AB_x = P_AB; in ostei_f_i_s_p() [all …]
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H A D | ostei_h_g_p_s.c | 503 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z; in ostei_g_h_p_s() 504 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z; in ostei_g_h_p_s() 505 P_tmp.AB_x = P_AB; in ostei_g_h_p_s() 506 P_tmp.AB_y = P_AB + P.nshell12; in ostei_g_h_p_s() 511 P_tmp.AB_x[i] = -P.AB_x[i]; in ostei_g_h_p_s() 512 P_tmp.AB_y[i] = -P.AB_y[i]; in ostei_g_h_p_s() 513 P_tmp.AB_z[i] = -P.AB_z[i]; in ostei_g_h_p_s() 581 P_tmp.PA_x = P.PB_x; P_tmp.PA_y = P.PB_y; P_tmp.PA_z = P.PB_z; in ostei_g_h_s_p() 582 P_tmp.PB_x = P.PA_x; P_tmp.PB_y = P.PA_y; P_tmp.PB_z = P.PA_z; in ostei_g_h_s_p() 583 P_tmp.AB_x = P_AB; in ostei_g_h_s_p() [all …]
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