i3302ab.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::i3302eAB(){
/* the cost is 838 */
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;
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;
t5=int_v_W0-int_v_p340;
t6=t5*int_v_list003[0];
t7=int_v_p340-int_v_r30;
double*restrictxx int_v_list002=int_v_list00[2];
t8=t7*int_v_list002[0];
t9=t8+t6;
t6=int_v_zeta34*int_v_ooze;
t8=int_v_oo2zeta12*t6;
t6=(-1)*t8;
t8=t6*t9;
t10=t8+t4;
t11=t5*int_v_list002[0];
double*restrictxx int_v_list001=int_v_list00[1];
t12=t7*int_v_list001[0];
t13=t12+t11;
t11=int_v_oo2zeta12*t13;
t12=t11+t10;
t10=t3*int_v_list003[0];
double*restrictxx int_v_list004=int_v_list00[4];
t14=t5*int_v_list004[0];
t15=t7*int_v_list003[0];
t16=t15+t14;
t14=t1*t16;
t15=t14+t10;
t14=t1*t15;
t17=t14+t12;
t12=int_v_ooze*2;
t14=0.5*t12;
t18=t14*t17;
t19=t14*t9;
t20=int_v_zeta12*int_v_ooze;
t21=int_v_oo2zeta34*t20;
t20=t21*(-1);
t21=t20*int_v_list003[0];
t22=int_v_oo2zeta34*int_v_list002[0];
t23=t22+t21;
t21=t5*t16;
t22=t21+t23;
t21=t7*t9;
t24=t21+t22;
t21=t1*t24;
t22=t21+t19;
t19=int_v_zeta34*t12;
t12=int_v_oo2zeta12*t19;
t19=(-1)*t12;
t12=t19*t22;
t21=t12+t18;
t12=t14*t13;
t18=t20*int_v_list002[0];
t25=int_v_oo2zeta34*int_v_list001[0];
t26=t25+t18;
t18=t5*t9;
t25=t18+t26;
t18=t7*t13;
t27=t18+t25;
t18=t1*t27;
t25=t18+t12;
t12=int_v_oo2zeta12*2;
t18=t12*t25;
t28=t18+t21;
t18=t14*t15;
t21=t6*t24;
t29=t21+t18;
t18=int_v_oo2zeta12*t27;
t30=t18+t29;
t29=t14*t16;
t31=t20*int_v_list004[0];
t20=int_v_oo2zeta34*int_v_list003[0];
t32=t20+t31;
double*restrictxx int_v_list005=int_v_list00[5];
t20=t5*int_v_list005[0];
t31=t7*int_v_list004[0];
t33=t31+t20;
t20=t5*t33;
t5=t20+t32;
t20=t7*t16;
t7=t20+t5;
t5=t1*t7;
t20=t5+t29;
t5=t1*t20;
t29=t5+t30;
t5=t1*t29;
t30=t5+t28;
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]=t30;
t5=int_v_W2-int_v_p342;
t28=t5*int_v_list003[0];
t31=int_v_p342-int_v_r32;
t34=t31*int_v_list002[0];
t35=t34+t28;
t28=t6*t35;
t34=t5*int_v_list002[0];
t36=t31*int_v_list001[0];
t37=t36+t34;
t34=int_v_oo2zeta12*t37;
t36=t34+t28;
t38=t5*int_v_list004[0];
t39=t31*int_v_list003[0];
t40=t39+t38;
t38=t1*t40;
t39=t1*t38;
t41=t39+t36;
t39=t3*t41;
t42=t3*t35;
t43=t5*t16;
t44=t31*t9;
t45=t44+t43;
t43=t1*t45;
t44=t43+t42;
t43=t19*t44;
t46=t43+t39;
t43=t3*t37;
t47=t5*t9;
t48=t31*t13;
t49=t48+t47;
t47=t1*t49;
t48=t47+t43;
t47=t12*t48;
t50=t47+t46;
t46=t3*t38;
t47=t6*t45;
t51=t47+t46;
t52=int_v_oo2zeta12*t49;
t53=t52+t51;
t51=t3*t40;
t54=t5*t33;
t55=t31*t16;
t56=t55+t54;
t54=t1*t56;
t55=t54+t51;
t54=t1*t55;
t57=t54+t53;
t53=t1*t57;
t54=t53+t50;
int_v_list320[58]=t54;
t50=int_v_W1-int_v_p341;
t53=t50*int_v_list003[0];
t58=int_v_p341-int_v_r31;
t59=t58*int_v_list002[0];
t60=t59+t53;
t53=t6*t60;
t59=t50*int_v_list002[0];
t61=t58*int_v_list001[0];
t62=t61+t59;
t59=int_v_oo2zeta12*t62;
t61=t59+t53;
t63=t50*int_v_list004[0];
t64=t58*int_v_list003[0];
t65=t64+t63;
t63=t1*t65;
t64=t1*t63;
t66=t64+t61;
t64=t3*t66;
t67=t3*t60;
t68=t50*t16;
t69=t58*t9;
t70=t69+t68;
t68=t1*t70;
t69=t68+t67;
t68=t19*t69;
t71=t68+t64;
t68=t3*t62;
t72=t50*t9;
t73=t58*t13;
t74=t73+t72;
t72=t1*t74;
t73=t72+t68;
t72=t12*t73;
t75=t72+t71;
t71=t3*t63;
t72=t6*t70;
t76=t72+t71;
t77=int_v_oo2zeta12*t74;
t78=t77+t76;
t76=t3*t65;
t79=t50*t33;
t33=t58*t16;
t80=t33+t79;
t33=t1*t80;
t79=t33+t76;
t33=t1*t79;
t81=t33+t78;
t33=t1*t81;
t78=t33+t75;
int_v_list320[57]=t78;
t33=t5*t40;
t75=t23+t33;
t33=t31*t35;
t82=t33+t75;
t33=t1*t82;
t75=t19*t33;
t83=t5*t35;
t84=t26+t83;
t83=t31*t37;
t85=t83+t84;
t83=t1*t85;
t84=t12*t83;
t86=t84+t75;
t75=t6*t82;
t84=int_v_oo2zeta12*t85;
t87=t84+t75;
t88=t5*int_v_list005[0];
t89=t31*int_v_list004[0];
t90=t89+t88;
t88=t5*t90;
t89=t32+t88;
t88=t31*t40;
t90=t88+t89;
t88=t1*t90;
t89=t1*t88;
t91=t89+t87;
t89=t1*t91;
t92=t89+t86;
int_v_list320[56]=t92;
t86=t5*t65;
t89=t31*t60;
t93=t89+t86;
t86=t1*t93;
t89=t19*t86;
t94=t5*t60;
t95=t31*t62;
t96=t95+t94;
t94=t1*t96;
t95=t12*t94;
t97=t95+t89;
t89=t6*t93;
t95=int_v_oo2zeta12*t96;
t98=t95+t89;
t99=t50*int_v_list005[0];
t100=t58*int_v_list004[0];
t101=t100+t99;
t99=t5*t101;
t5=t31*t65;
t31=t5+t99;
t5=t1*t31;
t99=t1*t5;
t100=t99+t98;
t98=t1*t100;
t99=t98+t97;
int_v_list320[55]=t99;
t97=t50*t65;
t98=t23+t97;
t23=t58*t60;
t97=t23+t98;
t23=t1*t97;
t98=t19*t23;
t102=t50*t60;
t103=t26+t102;
t26=t58*t62;
t102=t26+t103;
t26=t1*t102;
t103=t12*t26;
t104=t103+t98;
t98=t6*t97;
t103=int_v_oo2zeta12*t102;
t105=t103+t98;
t106=t50*t101;
t50=t32+t106;
t32=t58*t65;
t58=t32+t50;
t32=t1*t58;
t50=t1*t32;
t101=t50+t105;
t50=t1*t101;
t106=t50+t104;
int_v_list320[54]=t106;
t50=int_v_W2-int_v_p122;
t104=t50*t29;
int_v_list320[53]=t104;
t107=t3*t17;
t108=t50*t57;
t109=t108+t107;
int_v_list320[52]=t109;
t108=t50*t81;
int_v_list320[51]=t108;
t110=t14*t41;
t111=t50*t91;
t112=t111+t110;
int_v_list320[50]=t112;
t110=t50*t100;
t111=t64+t110;
int_v_list320[49]=t111;
t64=t50*t101;
int_v_list320[48]=t64;
t110=int_v_W1-int_v_p121;
t113=t29*t110;
int_v_list320[47]=t113;
t29=t110*t57;
int_v_list320[46]=t29;
t57=t110*t81;
t81=t107+t57;
int_v_list320[45]=t81;
t57=t110*t91;
int_v_list320[44]=t57;
t91=t110*t100;
t100=t39+t91;
int_v_list320[43]=t100;
t39=t14*t66;
t91=t110*t101;
t101=t91+t39;
int_v_list320[42]=t101;
t39=t6*t22;
t22=int_v_oo2zeta12*t25;
t25=t22+t39;
t22=t50*t20;
t39=t50*t22;
t22=t39+t25;
int_v_list320[41]=t22;
t39=t50*t15;
t91=t3*t39;
t107=t6*t44;
t44=t107+t91;
t91=int_v_oo2zeta12*t48;
t48=t91+t44;
t44=t3*t15;
t114=t50*t55;
t115=t114+t44;
t114=t50*t115;
t115=t114+t48;
int_v_list320[40]=t115;
t48=t6*t69;
t69=int_v_oo2zeta12*t73;
t73=t69+t48;
t114=t50*t79;
t116=t50*t114;
t114=t116+t73;
int_v_list320[39]=t114;
t73=t50*t38;
t116=t4+t73;
t73=t14*t116;
t117=t6*t33;
t33=t117+t73;
t73=int_v_oo2zeta12*t83;
t83=t73+t33;
t33=t14*t38;
t118=t50*t88;
t119=t118+t33;
t33=t50*t119;
t118=t33+t83;
int_v_list320[38]=t118;
t33=t50*t63;
t83=t3*t33;
t119=t6*t86;
t86=t119+t83;
t83=int_v_oo2zeta12*t94;
t94=t83+t86;
t86=t50*t5;
t120=t71+t86;
t71=t50*t120;
t86=t71+t94;
int_v_list320[37]=t86;
t71=t6*t23;
t23=int_v_oo2zeta12*t26;
t26=t23+t71;
t94=t50*t32;
t120=t50*t94;
t94=t120+t26;
int_v_list320[36]=t94;
t26=t110*t20;
t20=t50*t26;
int_v_list320[35]=t20;
t120=t110*t15;
t15=t3*t120;
t121=t110*t55;
t55=t50*t121;
t122=t55+t15;
int_v_list320[34]=t122;
t55=t110*t79;
t79=t44+t55;
t44=t50*t79;
int_v_list320[33]=t44;
t55=t110*t38;
t38=t14*t55;
t123=t110*t88;
t88=t50*t123;
t124=t88+t38;
int_v_list320[32]=t124;
t38=t110*t63;
t88=t4+t38;
t4=t3*t88;
t38=t110*t5;
t5=t46+t38;
t38=t50*t5;
t46=t38+t4;
int_v_list320[31]=t46;
t4=t14*t63;
t38=t110*t32;
t32=t38+t4;
t4=t50*t32;
int_v_list320[30]=t4;
t38=t110*t26;
t26=t25+t38;
int_v_list320[29]=t26;
t25=t91+t107;
t38=t110*t121;
t63=t38+t25;
int_v_list320[28]=t63;
t25=t48+t15;
t15=t69+t25;
t25=t110*t79;
t38=t25+t15;
int_v_list320[27]=t38;
t15=t73+t117;
t25=t110*t123;
t48=t25+t15;