i1312.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::i1312(){
/* the cost is 1528 */
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;
double t130;
double t131;
double t132;
double t133;
double t134;
double t135;
double t136;
double t137;
double t138;
double t139;
double t140;
double t141;
double t142;
double t143;
double t144;
double t145;
double t146;
double t147;
double t148;
double t149;
double t150;
double t151;
double t152;
double t153;
double t154;
double t155;
double t156;
double t157;
double t158;
double t159;
double t160;
double t161;
double t162;
double t163;
double t164;
double t165;
double t166;
double t167;
double t168;
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=int_v_p120-int_v_r10;
double*restrictxx int_v_list002=int_v_list00[2];
t4=t3*int_v_list002[0];
t5=t4+t2;
t2=0.5*int_v_ooze;
t4=t2*t5;
t6=int_v_W0-int_v_p340;
t7=t6*int_v_list003[0];
t8=int_v_p340-int_v_r30;
t9=t8*int_v_list002[0];
t10=t9+t7;
t7=int_v_zeta34*int_v_ooze;
t9=int_v_oo2zeta12*t7;
t7=(-1)*t9;
t9=t7*t10;
t11=t9+t4;
t12=t6*int_v_list002[0];
double*restrictxx int_v_list001=int_v_list00[1];
t13=t8*int_v_list001[0];
t14=t13+t12;
t12=int_v_oo2zeta12*t14;
t13=t12+t11;
t11=t2*int_v_list003[0];
double*restrictxx int_v_list004=int_v_list00[4];
t15=t6*int_v_list004[0];
t16=t8*int_v_list003[0];
t17=t16+t15;
t15=t1*t17;
t16=t15+t11;
t15=t3*t10;
t18=t15+t16;
t15=t1*t18;
t16=t15+t13;
t13=t2*int_v_list002[0];
t15=t1*t10;
t19=t15+t13;
t15=t3*t14;
t20=t15+t19;
t15=t3*t20;
t19=t15+t16;
t15=int_v_ooze*2;
t16=0.5*t15;
t21=t16*t19;
t22=t16*t10;
t23=int_v_zeta12*int_v_ooze;
t24=int_v_oo2zeta34*t23;
t23=t24*(-1);
t24=t23*int_v_list003[0];
t25=int_v_oo2zeta34*int_v_list002[0];
t26=t25+t24;
t24=t6*t17;
t25=t24+t26;
t24=t8*t10;
t27=t24+t25;
t24=t1*t27;
t25=t24+t22;
t22=t23*int_v_list002[0];
t24=int_v_oo2zeta34*int_v_list001[0];
t28=t24+t22;
t22=t6*t10;
t24=t22+t28;
t22=t8*t14;
t29=t22+t24;
t22=t3*t29;
t24=t22+t25;
t22=int_v_zeta34*t15;
t15=int_v_oo2zeta12*t22;
t22=(-1)*t15;
t15=t22*t24;
t25=t15+t21;
t15=t16*t14;
t21=t1*t29;
t30=t21+t15;
t15=t23*int_v_list001[0];
double*restrictxx int_v_list000=int_v_list00[0];
t21=int_v_oo2zeta34*int_v_list000[0];
t31=t21+t15;
t15=t6*t14;
t21=t15+t31;
t15=t6*int_v_list001[0];
t32=t8*int_v_list000[0];
t33=t32+t15;
t15=t8*t33;
t32=t15+t21;
t15=t3*t32;
t21=t15+t30;
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]=t21;
t15=int_v_oo2zeta12*2;
t30=t15*t21;
t34=t30+t25;
t25=t16*t18;
t30=t7*t27;
t35=t30+t25;
t25=int_v_oo2zeta12*t29;
t36=t25+t35;
t35=t16*t17;
t37=t23*int_v_list004[0];
t23=int_v_oo2zeta34*int_v_list003[0];
t38=t23+t37;
double*restrictxx int_v_list005=int_v_list00[5];
t23=t6*int_v_list005[0];
t37=t8*int_v_list004[0];
t39=t37+t23;
t23=t6*t39;
t6=t23+t38;
t23=t8*t17;
t8=t23+t6;
t6=t1*t8;
t23=t6+t35;
t6=t3*t27;
t35=t6+t23;
t6=t1*t35;
t23=t6+t36;
t6=t3*t24;
t36=t6+t23;
t6=t1*t36;
t23=t6+t34;
t6=t16*t20;
t34=t7*t29;
t37=t34+t6;
t6=int_v_oo2zeta12*t32;
t40=t6+t37;
t37=t1*t24;
t41=t37+t40;
t37=t3*t21;
t40=t37+t41;
double***restrictxx int_v_list2=int_v_list(2);
double**restrictxx int_v_list22=int_v_list2[2];
double*restrictxx int_v_list220=int_v_list22[0];
int_v_list220[35]=t40;
t37=t3*t40;
t41=t37+t23;
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]=t41;
t23=int_v_W2-int_v_p342;
t37=t23*int_v_list003[0];
t42=int_v_p342-int_v_r32;
t43=t42*int_v_list002[0];
t44=t43+t37;
t37=t7*t44;
t43=t23*int_v_list002[0];
t45=t42*int_v_list001[0];
t46=t45+t43;
t43=int_v_oo2zeta12*t46;
t45=t43+t37;
t47=t23*int_v_list004[0];
t48=t42*int_v_list003[0];
t49=t48+t47;
t47=t1*t49;
t48=t3*t44;
t50=t48+t47;
t47=t1*t50;
t48=t47+t45;
t47=t1*t44;
t51=t3*t46;
t52=t51+t47;
t47=t3*t52;
t51=t47+t48;
t47=t2*t51;
t48=t23*t18;
t53=t42*t20;
t54=t53+t48;
t48=t22*t54;
t53=t48+t47;
t48=t23*t20;
t55=t2*int_v_list001[0];
t56=t1*t14;
t57=t56+t55;
t56=t3*t33;
t58=t56+t57;
double**restrictxx int_v_list11=int_v_list1[1];
double*restrictxx int_v_list110=int_v_list11[0];
int_v_list110[8]=t58;
t56=t42*t58;
t57=t56+t48;
int_v_list120[16]=t57;
t48=t15*t57;
t56=t48+t53;
t48=t2*t50;
t53=t23*t17;
t59=t42*t10;
t60=t59+t53;
t53=t7*t60;
t59=t53+t48;
t61=t23*t10;
t62=t42*t14;
t63=t62+t61;
t61=int_v_oo2zeta12*t63;
t62=t61+t59;
t59=t2*t49;
t64=t23*t39;
t65=t42*t17;
t66=t65+t64;
t64=t1*t66;
t65=t64+t59;
t64=t3*t60;
t67=t64+t65;
t64=t1*t67;
t65=t64+t62;
t62=t3*t54;
t64=t62+t65;
t62=t1*t64;
t65=t62+t56;
t56=t23*t19;
t62=t1*int_v_list002[0];
t68=t3*int_v_list001[0];
t69=t68+t62;
t62=t2*t69;
t68=t7*t14;
t70=t68+t62;
t71=int_v_oo2zeta12*t33;
t72=t71+t70;
t70=t1*t20;
t73=t70+t72;
t70=t3*t58;
t72=t70+t73;
double**restrictxx int_v_list21=int_v_list2[1];
double*restrictxx int_v_list210=int_v_list21[0];
int_v_list210[17]=t72;
t70=t42*t72;
t73=t70+t56;
int_v_list220[34]=t73;
t56=t3*t73;
t70=t56+t65;
int_v_list320[58]=t70;
t56=int_v_W1-int_v_p341;
t65=t56*int_v_list003[0];
t74=int_v_p341-int_v_r31;
t75=t74*int_v_list002[0];
t76=t75+t65;
t65=t7*t76;
t75=t56*int_v_list002[0];
t77=t74*int_v_list001[0];
t78=t77+t75;
t75=int_v_oo2zeta12*t78;
t77=t75+t65;
t79=t56*int_v_list004[0];
t80=t74*int_v_list003[0];
t81=t80+t79;
t79=t1*t81;
t80=t3*t76;
t82=t80+t79;
t79=t1*t82;
t80=t79+t77;
t79=t1*t76;
t83=t3*t78;
t84=t83+t79;
t79=t3*t84;
t83=t79+t80;
t79=t2*t83;
t80=t56*t18;
t85=t74*t20;
t86=t85+t80;
t80=t22*t86;
t85=t80+t79;
t80=t56*t20;
t87=t74*t58;
t88=t87+t80;
int_v_list120[15]=t88;
t80=t15*t88;
t87=t80+t85;
t80=t2*t82;
t85=t56*t17;
t89=t74*t10;
t90=t89+t85;
t85=t7*t90;
t89=t85+t80;
t91=t56*t10;
t92=t74*t14;
t93=t92+t91;
t91=int_v_oo2zeta12*t93;
t92=t91+t89;
t89=t2*t81;
t94=t56*t39;
t95=t74*t17;
t96=t95+t94;
t94=t1*t96;
t95=t94+t89;
t89=t3*t90;
t94=t89+t95;
t89=t1*t94;
t95=t89+t92;
t89=t3*t86;
t92=t89+t95;
t89=t1*t92;
t95=t89+t87;
t87=t56*t19;
t89=t74*t72;
t97=t89+t87;
int_v_list220[33]=t97;
t87=t3*t97;
t89=t87+t95;
int_v_list320[57]=t89;
t87=t23*t49;
t95=t26+t87;
t87=t42*t44;
t98=t87+t95;
t87=t1*t98;
t95=t23*t44;
t99=t28+t95;
t95=t42*t46;
t100=t95+t99;
t95=t3*t100;
t99=t95+t87;
t87=t22*t99;
t95=t1*t100;
t101=t23*t46;
t102=t31+t101;
t101=t23*int_v_list001[0];
t103=t42*int_v_list000[0];
t104=t103+t101;
t101=t42*t104;
t103=t101+t102;
t101=t3*t103;
t102=t101+t95;
int_v_list120[14]=t102;
t95=t15*t102;
t101=t95+t87;
t87=t7*t98;
t95=int_v_oo2zeta12*t100;
t105=t95+t87;
t106=t23*int_v_list005[0];
t107=t42*int_v_list004[0];
t108=t107+t106;
t106=t23*t108;
t107=t38+t106;
t106=t42*t49;
t108=t106+t107;
t106=t1*t108;
t107=t3*t98;
t109=t107+t106;
t106=t1*t109;
t107=t106+t105;
t106=t3*t99;
t110=t106+t107;
t106=t1*t110;
t107=t106+t101;
t101=t7*t100;
t106=int_v_oo2zeta12*t103;
t111=t106+t101;
t112=t1*t99;
t113=t112+t111;
t112=t3*t102;
t114=t112+t113;
int_v_list220[32]=t114;
t112=t3*t114;
t113=t112+t107;
int_v_list320[56]=t113;
t107=t23*t81;
t112=t42*t76;
t115=t112+t107;
t107=t1*t115;
t112=t23*t76;
t116=t42*t78;
t117=t116+t112;
t112=t3*t117;
t116=t112+t107;
t107=t22*t116;
t112=t1*t117;
t118=t23*t78;
t119=t56*int_v_list001[0];
t120=t74*int_v_list000[0];
t121=t120+t119;
t119=t42*t121;
t120=t119+t118;
t118=t3*t120;
t119=t118+t112;
int_v_list120[13]=t119;
t112=t15*t119;
t118=t112+t107;
t107=t7*t115;
t112=int_v_oo2zeta12*t117;
t122=t112+t107;
t123=t56*int_v_list005[0];
t124=t74*int_v_list004[0];
t125=t124+t123;
t123=t23*t125;
t124=t42*t81;
t126=t124+t123;
t123=t1*t126;
t124=t3*t115;
t127=t124+t123;
t123=t1*t127;
t124=t123+t122;
t122=t3*t116;
t123=t122+t124;
t122=t1*t123;
t124=t122+t118;
t118=t23*t83;
t122=t7*t78;
t128=int_v_oo2zeta12*t121;
t129=t128+t122;
t130=t1*t84;
t131=t130+t129;
t130=t1*t78;
t132=t3*t121;
t133=t132+t130;
int_v_list110[6]=t133;
t130=t3*t133;
t132=t130+t131;
int_v_list210[15]=t132;
t130=t42*t132;
t131=t130+t118;
int_v_list220[31]=t131;
t118=t3*t131;
t130=t118+t124;
int_v_list320[55]=t130;
t118=t56*t81;
t124=t26+t118;
t26=t74*t76;
t118=t26+t124;
t26=t1*t118;
t124=t56*t76;
t134=t28+t124;
t28=t74*t78;
t124=t28+t134;
t28=t3*t124;
t134=t28+t26;
t26=t22*t134;
t28=t1*t124;
t135=t56*t78;
t136=t31+t135;
t31=t74*t121;
t135=t31+t136;
t31=t3*t135;
t136=t31+t28;
int_v_list120[12]=t136;
t28=t15*t136;
t31=t28+t26;
t26=t7*t118;
t28=int_v_oo2zeta12*t124;
t137=t28+t26;
t138=t56*t125;
t139=t38+t138;
t38=t74*t81;
t138=t38+t139;
t38=t1*t138;
t139=t3*t118;
t140=t139+t38;
t38=t1*t140;
t139=t38+t137;
t38=t3*t134;
t141=t38+t139;
t38=t1*t141;
t139=t38+t31;
t31=t7*t124;
t38=int_v_oo2zeta12*t135;
t142=t38+t31;
t143=t1*t134;
t144=t143+t142;
t143=t3*t136;
t145=t143+t144;
int_v_list220[30]=t145;
t143=t3*t145;
t144=t143+t139;
int_v_list320[54]=t144;
t139=int_v_W2-int_v_p122;
t143=t139*t36;
t146=int_v_p122-int_v_r12;
t147=t146*t40;
t148=t147+t143;
int_v_list320[53]=t148;
t143=t2*t19;
t147=t139*t64;
t149=t147+t143;
t147=t146*t73;
t150=t147+t149;
int_v_list320[52]=t150;
t147=t139*t92;
t149=t146*t97;
t151=t149+t147;
int_v_list320[51]=t151;
t147=t16*t51;
t149=t139*t110;
t152=t149+t147;
t147=t146*t114;
t149=t147+t152;
int_v_list320[50]=t149;
t147=t139*t123;
t152=t79+t147;
t79=t146*t131;
t147=t79+t152;
int_v_list320[49]=t147;
t79=t139*t141;
t152=t146*t145;
t153=t152+t79;
int_v_list320[48]=t153;
t79=int_v_W1-int_v_p121;
t152=t36*t79;
t36=int_v_p121-int_v_r11;
t154=t36*t40;
t40=t154+t152;
int_v_list320[47]=t40;
t152=t79*t64;
t64=t36*t73;
t73=t64+t152;
int_v_list320[46]=t73;
t64=t79*t92;
t92=t143+t64;
t64=t36*t97;
t97=t64+t92;
int_v_list320[45]=t97;
t64=t79*t110;
t92=t36*t114;
t110=t92+t64;
int_v_list320[44]=t110;
t64=t79*t123;
t92=t47+t64;
t47=t36*t131;
t64=t47+t92;
int_v_list320[43]=t64;
t47=t16*t83;
t92=t79*t141;
t114=t92+t47;
t47=t36*t145;
t92=t47+t114;
int_v_list320[42]=t92;
t47=t7*t24;
t114=int_v_oo2zeta12*t21;
t123=t114+t47;
t47=t139*t35;
t114=t146*t24;
t131=t114+t47;
t47=t139*t131;
t114=t47+t123;
t47=t139*t24;
t131=t146*t21;
t141=t131+t47;
int_v_list220[29]=t141;
t47=t146*t141;
t131=t47+t114;
int_v_list320[41]=t131;
t47=t139*t18;
t114=t146*t20;
t141=t114+t47;
t47=t2*t141;
t114=t7*t54;
t143=t114+t47;
t47=int_v_oo2zeta12*t57;
t145=t47+t143;
t143=t2*t18;
t152=t139*t67;
t154=t152+t143;
t152=t146*t54;
t155=t152+t154;
t152=t139*t155;
t154=t152+t145;
t145=t2*t20;
t152=t139*t54;
t155=t152+t145;
t152=t146*t57;
t156=t152+t155;
int_v_list220[28]=t156;
t152=t146*t156;
t155=t152+t154;
int_v_list320[40]=t155;
t152=t7*t86;
t154=int_v_oo2zeta12*t88;
t156=t154+t152;
t157=t139*t94;
t158=t146*t86;
t159=t158+t157;
t157=t139*t159;
t158=t157+t156;
t156=t139*t86;
t157=t146*t88;
t159=t157+t156;
int_v_list220[27]=t159;
t156=t146*t159;
t157=t156+t158;
int_v_list320[39]=t157;
t156=t139*t50;
t158=t4+t156;
t156=t146*t52;
t159=t156+t158;
t156=t16*t159;
t158=t7*t99;
t160=t158+t156;
t156=int_v_oo2zeta12*t102;
t161=t156+t160;
t160=t16*t50;
t162=t139*t109;
t163=t162+t160;
t160=t146*t99;
t162=t160+t163;
t160=t139*t162;
t162=t160+t161;
t160=t16*t52;
t161=t139*t99;
t163=t161+t160;
t160=t146*t102;
t161=t160+t163;
int_v_list220[26]=t161;
t160=t146*t161;
t161=t160+t162;
int_v_list320[38]=t161;
t160=t139*t82;
t162=t146*t84;
t163=t162+t160;
t160=t2*t163;
t162=t7*t116;
t164=t162+t160;
t160=int_v_oo2zeta12*t119;
t165=t160+t164;
t164=t139*t127;
t166=t80+t164;
t80=t146*t116;
t164=t80+t166;
t80=t139*t164;
t164=t80+t165;
t80=t139*t116;
t165=t2*t84;
t166=t165+t80;
t80=t146*t119;
t119=t80+t166;
int_v_list220[25]=t119;
t80=t146*t119;
t119=t80+t164;
int_v_list320[37]=t119;
t80=t7*t134;
t164=int_v_oo2zeta12*t136;
t165=t164+t80;
t166=t139*t140;
t167=t146*t134;
t168=t167+t166;
t166=t139*t168;
t167=t166+t165;
t165=t139*t134;
t166=t146*t136;
t168=t166+t165;
int_v_list220[24]=t168;
t165=t146*t168;
t166=t165+t167;
int_v_list320[36]=t166;
t165=t79*t35;
t35=t36*t24;
t167=t35+t165;
t35=t139*t167;
t165=t79*t24;
t24=t36*t21;
t21=t24+t165;
int_v_list220[23]=t21;
t24=t146*t21;
t165=t24+t35;
int_v_list320[35]=t165;
t24=t79*t18;
t18=t36*t20;
t35=t18+t24;
t18=t2*t35;
t24=t79*t67;
t67=t36*t54;
t168=t67+t24;
t24=t139*t168;
t67=t24+t18;
t24=t79*t54;
t54=t36*t57;
t57=t54+t24;
int_v_list220[22]=t57;
t24=t146*t57;
t54=t24+t67;
int_v_list320[34]=t54;
t24=t79*t94;
t67=t143+t24;
t24=t36*t86;
t94=t24+t67;
t24=t139*t94;
t67=t79*t86;
t86=t145+t67;
t67=t36*t88;
t88=t67+t86;
int_v_list220[21]=t88;
t67=t146*t88;
t86=t67+t24;
int_v_list320[33]=t86;
t24=t79*t50;
t50=t36*t52;
t67=t50+t24;
t24=t16*t67;
t50=t79*t109;
t109=t36*t99;
t143=t109+t50;
t50=t139*t143;
t109=t50+t24;
t24=t79*t99;
t50=t36*t102;
t99=t50+t24;
int_v_list220[20]=t99;
t24=t146*t99;
t50=t24+t109;
int_v_list320[32]=t50;
t24=t79*t82;
t102=t4+t24;
t4=t36*t84;
t24=t4+t102;
t4=t2*t24;
t102=t79*t127;
t109=t48+t102;
t48=t36*t116;
t102=t48+t109;
t48=t139*t102;
t109=t48+t4;
t4=t23*t24;
t48=t79*t84;
t116=t62+t48;
t48=t36*t133;
t127=t48+t116;
int_v_list210[9]=t127;
t48=t42*t127;
t116=t48+t4;
int_v_list220[19]=t116;
t4=t146*t116;
t48=t4+t109;
int_v_list320[31]=t48;
t4=t16*t82;
t82=t79*t140;
t109=t82+t4;
t4=t36*t134;
t82=t4+t109;
t4=t139*t82;
t109=t16*t84;
t140=t79*t134;
t134=t140+t109;
t109=t36*t136;
t136=t109+t134;
int_v_list220[18]=t136;
t109=t146*t136;
t134=t109+t4;
int_v_list320[30]=t134;
t4=t79*t167;
t109=t123+t4;
t4=t36*t21;
t21=t4+t109;
int_v_list320[29]=t21;
t4=t47+t114;
t47=t79*t168;
t109=t47+t4;
t4=t36*t57;
t47=t4+t109;
int_v_list320[28]=t47;
t4=t152+t18;
t18=t154+t4;
t4=t79*t94;
t57=t4+t18;
t4=t36*t88;
t18=t4+t57;
int_v_list320[27]=t18;
t4=t156+t158;
t57=t79*t143;
t88=t57+t4;
t4=t36*t99;
t57=t4+t88;
int_v_list320[26]=t57;
t4=t2*t67;
t88=t162+t4;
t4=t160+t88;
t88=t79*t102;
t94=t88+t4;
t4=t36*t116;
t88=t4+t94;
int_v_list320[25]=t88;
t4=t16*t24;
t94=t80+t4;
t4=t164+t94;
t80=t79*t82;
t82=t80+t4;
t4=t36*t136;
t80=t4+t82;