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#include<libint/libint.h>
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#include<libderiv/libderiv.h>
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#include"taylor_fm_eval.h"
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/*--------------------------------------------------------------------------------
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This function computes constants used in OSRR for a given quartet of primitives
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--------------------------------------------------------------------------------*/
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void deriv1_quartet_data(prim_data *Data, double_array_t *fjt_table, double AB2, double CD2,
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struct shell_pair *sp1, struct shell_pair *sp2,
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int am, int pi, int pj, int pk, int pl, double scale)
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struct coordinates PQ, W;
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double F[2*CINTS_MAX_AM+1];
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double small_T = UserOptions.cutoff; /*--- Use only one term in Taylor expansion of Fj(T) if T < small_T ---*/
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double zeta, eta, rho;
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zeta = sp1->gamma[pi][pj];
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eta = sp2->gamma[pk][pl];
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oozn = 1.0/(zeta+eta);
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Data->twozeta_a = 2.0*sp1->a1[pi];
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Data->twozeta_b = 2.0*sp1->a2[pj];
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Data->twozeta_c = 2.0*sp2->a1[pk];
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Data->twozeta_d = 2.0*sp2->a2[pl];
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coef1 = 2.0*sqrt(rho*M_1_PI)*scale*sp1->Sovlp[pi][pj]*sp2->Sovlp[pk][pl];
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PQ.x = sp1->P[pi][pj][0] - sp2->P[pk][pl][0];
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PQ.y = sp1->P[pi][pj][1] - sp2->P[pk][pl][1];
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PQ.z = sp1->P[pi][pj][2] - sp2->P[pk][pl][2];
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Data->oo2zn = 0.5*oozn;
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Data->pon = zeta*oozn;
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Data->oo2z = 0.5/zeta;
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W.x = (sp1->P[pi][pj][0]*zeta+sp2->P[pk][pl][0]*eta)*oozn;
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W.y = (sp1->P[pi][pj][1]*zeta+sp2->P[pk][pl][1]*eta)*oozn;
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W.z = (sp1->P[pi][pj][2]*zeta+sp2->P[pk][pl][2]*eta)*oozn;
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for(i=0; i<=am+DERIV_LVL; i++)
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Data->F[i] = oo2np1[i]*coef1;
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taylor_compute_fm(F,T,am+DERIV_LVL);
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for(i=0;i<=am+DERIV_LVL;i++)
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Data->F[i] = F[i]*coef1;
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int_fjt(fjt_table,am+DERIV_LVL,T);
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for(i=0;i<=am+DERIV_LVL;i++)
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Data->F[i] = fjt_table->d[i]*coef1;
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Data->U[0][0] = sp1->PA[pi][pj][0];
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Data->U[0][1] = sp1->PA[pi][pj][1];
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Data->U[0][2] = sp1->PA[pi][pj][2];
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Data->U[1][0] = sp1->PB[pi][pj][0];
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Data->U[1][1] = sp1->PB[pi][pj][1];
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Data->U[1][2] = sp1->PB[pi][pj][2];
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Data->U[2][0] = sp2->PA[pk][pl][0];
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Data->U[2][1] = sp2->PA[pk][pl][1];
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Data->U[2][2] = sp2->PA[pk][pl][2];
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Data->U[3][0] = sp2->PB[pk][pl][0];
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Data->U[3][1] = sp2->PB[pk][pl][1];
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Data->U[3][2] = sp2->PB[pk][pl][2];
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Data->U[4][0] = W.x - sp1->P[pi][pj][0];
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Data->U[4][1] = W.y - sp1->P[pi][pj][1];
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Data->U[4][2] = W.z - sp1->P[pi][pj][2];
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Data->U[5][0] = W.x - sp2->P[pk][pl][0];
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Data->U[5][1] = W.y - sp2->P[pk][pl][1];
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Data->U[5][2] = W.z - sp2->P[pk][pl][2];