i1322ab.cc

大型并行量子化学软件；支持密度泛函（DFT）。可以进行各种量子化学计算。支持CHARMM并行计算。非常具有应用价值。

#include <chemistry/qc/oint3/build.h>
int sc::BuildIntV3::i1322eAB(){
/* the cost is 811 */
double t1;
double t2;
double t3;
double t4;
double t5;
double t6;
double t7;
double t8;
double t9;
double t10;
double t11;
double t12;
double t13;
double t14;
double t15;
double t16;
double t17;
double t18;
double t19;
double t20;
double t21;
double t22;
double t23;
double t24;
double t25;
double t26;
double t27;
double t28;
double t29;
double t30;
double t31;
double t32;
double t33;
double t34;
double t35;
double t36;
double t37;
double t38;
double t39;
double t40;
double t41;
double t42;
double t43;
double t44;
double t45;
double t46;
double t47;
double t48;
double t49;
double t50;
double t51;
double t52;
double t53;
double t54;
double t55;
double t56;
double t57;
double t58;
double t59;
double t60;
double t61;
double t62;
double t63;
double t64;
double t65;
double t66;
double t67;
double t68;
double t69;
double t70;
double t71;
double t72;
double t73;
double t74;
double t75;
double t76;
double t77;
double t78;
double t79;
double t80;
double t81;
double t82;
double t83;
double t84;
double t85;
double t86;
double t87;
double t88;
double t89;
double t90;
double t91;
double t92;
double t93;
double t94;
double t95;
double t96;
double t97;
double t98;
double t99;
double t100;
double t101;
double t102;
double t103;
double t104;
double t105;
double t106;
double t107;
double t108;
double t109;
double t110;
double t111;
double t112;
double t113;
double t114;
double t115;
double t116;
double t117;
double t118;
double t119;
double t120;
double t121;
double t122;
double t123;
double t124;
double t125;
double t126;
double t127;
double t128;
double t129;
t1=int_v_W0-int_v_p120;
double***restrictxx int_v_list0=int_v_list(0);
double**restrictxx int_v_list00=int_v_list0[0];
double*restrictxx int_v_list003=int_v_list00[3];
t2=t1*int_v_list003[0];
t3=0.5*int_v_ooze;
t4=t3*t2;
t2=int_v_W0-int_v_p340;
t5=t2*int_v_list003[0];
t6=int_v_p340-int_v_r30;
double*restrictxx int_v_list002=int_v_list00[2];
t7=t6*int_v_list002[0];
t8=t7+t5;
t5=int_v_zeta34*int_v_ooze;
t7=int_v_oo2zeta12*t5;
t5=(-1)*t7;
t7=t5*t8;
t9=t7+t4;
t10=t2*int_v_list002[0];
double*restrictxx int_v_list001=int_v_list00[1];
t11=t6*int_v_list001[0];
t12=t11+t10;
t10=int_v_oo2zeta12*t12;
t11=t10+t9;
t9=t3*int_v_list003[0];
double*restrictxx int_v_list004=int_v_list00[4];
t13=t2*int_v_list004[0];
t14=t6*int_v_list003[0];
t15=t14+t13;
t13=t1*t15;
t14=t13+t9;
t13=t1*t14;
t16=t13+t11;
t11=int_v_ooze*2;
t13=0.5*t11;
t17=t13*t16;
t18=t13*t8;
t19=int_v_zeta12*int_v_ooze;
t20=int_v_oo2zeta34*t19;
t19=t20*(-1);
t20=t19*int_v_list003[0];
t21=int_v_oo2zeta34*int_v_list002[0];
t22=t21+t20;
t20=t2*t15;
t21=t20+t22;
t20=t6*t8;
t23=t20+t21;
t20=t1*t23;
t21=t20+t18;
t18=int_v_zeta34*t11;
t11=int_v_oo2zeta12*t18;
t18=(-1)*t11;
t11=t18*t21;
t20=t11+t17;
t11=t13*t12;
t17=t19*int_v_list002[0];
t24=int_v_oo2zeta34*int_v_list001[0];
t25=t24+t17;
t17=t2*t8;
t24=t17+t25;
t17=t6*t12;
t26=t17+t24;
t17=t1*t26;
t24=t17+t11;
double***restrictxx int_v_list1=int_v_list(1);
double**restrictxx int_v_list12=int_v_list1[2];
double*restrictxx int_v_list120=int_v_list12[0];
int_v_list120[17]=t24;
t11=int_v_oo2zeta12*2;
t17=t11*t24;
t27=t17+t20;
t17=t13*t14;
t20=t5*t23;
t28=t20+t17;
t17=int_v_oo2zeta12*t26;
t29=t17+t28;
t28=t13*t15;
t30=t19*int_v_list004[0];
t31=int_v_oo2zeta34*int_v_list003[0];
t32=t31+t30;
double*restrictxx int_v_list005=int_v_list00[5];
t30=t2*int_v_list005[0];
t31=t6*int_v_list004[0];
t33=t31+t30;
t30=t2*t33;
t31=t30+t32;
t30=t6*t15;
t34=t30+t31;
t30=t1*t34;
t31=t30+t28;
t28=t1*t31;
t30=t28+t29;
t28=t1*t30;
t29=t28+t27;
double***restrictxx int_v_list3=int_v_list(3);
double**restrictxx int_v_list32=int_v_list3[2];
double*restrictxx int_v_list320=int_v_list32[0];
int_v_list320[59]=t29;
t27=int_v_W2-int_v_p342;
t28=t27*int_v_list003[0];
t35=int_v_p342-int_v_r32;
t36=t35*int_v_list002[0];
t37=t36+t28;
t28=t5*t37;
t36=t27*int_v_list002[0];
t38=t35*int_v_list001[0];
t39=t38+t36;
t36=int_v_oo2zeta12*t39;
t38=t36+t28;
t40=t27*int_v_list004[0];
t41=t35*int_v_list003[0];
t42=t41+t40;
t40=t1*t42;
t41=t1*t40;
t43=t41+t38;
t41=t3*t43;
t44=t3*t37;
t45=t27*t15;
t46=t35*t8;
t47=t46+t45;
t45=t1*t47;
t46=t45+t44;
t45=t18*t46;
t48=t45+t41;
t45=t3*t39;
t49=t27*t8;
t50=t35*t12;
t51=t50+t49;
t49=t1*t51;
t50=t49+t45;
int_v_list120[16]=t50;
t49=t11*t50;
t52=t49+t48;
t48=t3*t40;
t49=t5*t47;
t53=t49+t48;
t54=int_v_oo2zeta12*t51;
t55=t54+t53;
t53=t3*t42;
t56=t27*t33;
t57=t35*t15;
t58=t57+t56;
t56=t1*t58;
t57=t56+t53;
t56=t1*t57;
t59=t56+t55;
t55=t1*t59;
t56=t55+t52;
int_v_list320[58]=t56;
t52=int_v_W1-int_v_p341;
t55=t52*int_v_list003[0];
t60=int_v_p341-int_v_r31;
t61=t60*int_v_list002[0];
t62=t61+t55;
t55=t5*t62;
t61=t60*int_v_list001[0];
t63=t52*int_v_list002[0];
t64=t63+t61;
t61=int_v_oo2zeta12*t64;
t63=t61+t55;
t65=t52*int_v_list004[0];
t66=t60*int_v_list003[0];
t67=t66+t65;
t65=t1*t67;
t66=t1*t65;
t68=t66+t63;
t66=t3*t68;
t69=t3*t62;
t70=t52*t15;
t71=t60*t8;
t72=t71+t70;
t70=t1*t72;
t71=t70+t69;
t70=t18*t71;
t73=t70+t66;
t70=t3*t64;
t74=t52*t8;
t75=t60*t12;
t76=t75+t74;
t74=t1*t76;
t75=t74+t70;
int_v_list120[15]=t75;
t74=t11*t75;
t77=t74+t73;
t73=t3*t65;
t74=t5*t72;
t78=t74+t73;
t79=int_v_oo2zeta12*t76;
t80=t79+t78;
t78=t3*t67;
t81=t52*t33;
t33=t60*t15;
t82=t33+t81;
t33=t1*t82;
t81=t33+t78;
t33=t1*t81;
t83=t33+t80;
t33=t1*t83;
t80=t33+t77;
int_v_list320[57]=t80;
t33=t27*t42;
t77=t22+t33;
t33=t35*t37;
t84=t33+t77;
t33=t1*t84;
t77=t18*t33;
t85=t27*t37;
t86=t25+t85;
t85=t35*t39;
t87=t85+t86;
t85=t1*t87;
int_v_list120[14]=t85;
t86=t11*t85;
t88=t86+t77;
t77=t5*t84;
t86=int_v_oo2zeta12*t87;
t89=t86+t77;
t90=t27*int_v_list005[0];
t91=t35*int_v_list004[0];
t92=t91+t90;
t90=t27*t92;
t91=t32+t90;
t90=t35*t42;
t92=t90+t91;
t90=t1*t92;
t91=t1*t90;
t93=t91+t89;
t91=t1*t93;
t94=t91+t88;
int_v_list320[56]=t94;
t88=t27*t67;
t91=t35*t62;
t95=t91+t88;
t88=t1*t95;
t91=t18*t88;
t96=t27*t62;
t97=t35*t64;
t98=t97+t96;
t96=t1*t98;
int_v_list120[13]=t96;
t97=t11*t96;
t99=t97+t91;
t91=t5*t95;
t97=int_v_oo2zeta12*t98;
t100=t97+t91;
t101=t52*int_v_list005[0];
t102=t60*int_v_list004[0];
t103=t102+t101;
t101=t27*t103;
t102=t35*t67;
t104=t102+t101;
t101=t1*t104;
t102=t1*t101;
t105=t102+t100;
t100=t1*t105;
t102=t100+t99;
int_v_list320[55]=t102;
t99=t52*t67;
t100=t22+t99;
t22=t60*t62;
t99=t22+t100;
t22=t1*t99;
t100=t18*t22;
t106=t52*t62;
t107=t25+t106;
t25=t60*t64;
t106=t25+t107;
t25=t1*t106;
int_v_list120[12]=t25;
t107=t11*t25;
t108=t107+t100;
t100=t5*t99;
t107=int_v_oo2zeta12*t106;
t109=t107+t100;
t110=t52*t103;
t103=t32+t110;
t32=t60*t67;
t110=t32+t103;
t32=t1*t110;
t103=t1*t32;
t111=t103+t109;
t103=t1*t111;
t112=t103+t108;
int_v_list320[54]=t112;
t103=int_v_W2-int_v_p122;
t108=t103*t30;
int_v_list320[53]=t108;
t113=t3*t16;
t16=t103*t59;
t114=t16+t113;
int_v_list320[52]=t114;
t16=t103*t83;
int_v_list320[51]=t16;
t115=t13*t43;
t43=t103*t93;
t116=t43+t115;
int_v_list320[50]=t116;
t43=t103*t105;
t115=t66+t43;
int_v_list320[49]=t115;
t43=t103*t111;
int_v_list320[48]=t43;
t66=int_v_W1-int_v_p121;
t117=t30*t66;
int_v_list320[47]=t117;
t30=t66*t59;
int_v_list320[46]=t30;
t59=t66*t83;
t83=t113+t59;
int_v_list320[45]=t83;
t59=t66*t93;
int_v_list320[44]=t59;
t93=t66*t105;
t105=t41+t93;
int_v_list320[43]=t105;
t41=t13*t68;
t68=t66*t111;
t93=t68+t41;
int_v_list320[42]=t93;
t41=t5*t21;
t68=int_v_oo2zeta12*t24;
t24=t68+t41;
t41=t103*t31;
t68=t103*t41;
t41=t68+t24;
int_v_list320[41]=t41;
t68=t103*t14;
t111=t3*t68;
t68=t5*t46;
t113=t68+t111;
t111=int_v_oo2zeta12*t50;
t50=t111+t113;
t113=t3*t14;
t118=t103*t57;
t119=t118+t113;
t118=t103*t119;
t119=t118+t50;
int_v_list320[40]=t119;
t50=t5*t71;
t118=int_v_oo2zeta12*t75;
t75=t118+t50;
t120=t103*t81;
t121=t103*t120;
t120=t121+t75;
int_v_list320[39]=t120;
t75=t103*t40;
t121=t4+t75;
t75=t13*t121;
t121=t5*t33;
t122=t121+t75;
t75=int_v_oo2zeta12*t85;
t85=t75+t122;
t122=t13*t40;
t123=t103*t90;
t124=t123+t122;
t122=t103*t124;
t123=t122+t85;
int_v_list320[38]=t123;
t85=t103*t65;
t122=t3*t85;
t85=t5*t88;
t124=t85+t122;
t122=int_v_oo2zeta12*t96;
t96=t122+t124;
t124=t103*t101;
t125=t73+t124;
t73=t103*t125;
t124=t73+t96;
int_v_list320[37]=t124;
t73=t5*t22;
t96=int_v_oo2zeta12*t25;
t25=t96+t73;
t125=t103*t32;
t126=t103*t125;
t125=t126+t25;
int_v_list320[36]=t125;
t25=t66*t31;
t31=t103*t25;
int_v_list320[35]=t31;
t126=t66*t14;
t14=t3*t126;
t126=t66*t57;
t57=t103*t126;
t127=t57+t14;
int_v_list320[34]=t127;
t57=t66*t81;
t81=t113+t57;
t57=t103*t81;
int_v_list320[33]=t57;
t113=t66*t40;
t40=t13*t113;
t128=t66*t90;
t90=t103*t128;
t129=t90+t40;
int_v_list320[32]=t129;
t40=t66*t65;
t90=t4+t40;
t4=t3*t90;
t40=t66*t101;
t101=t48+t40;
t40=t103*t101;
t48=t40+t4;
int_v_list320[31]=t48;
t4=t13*t65;
t40=t66*t32;
t32=t40+t4;