i0111ab.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::i0111eAB(){
/* the cost is 41 */
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;
t1=0.5*int_v_ooze;
double***restrictxx int_v_list0=int_v_list(0);
double**restrictxx int_v_list00=int_v_list0[0];
double*restrictxx int_v_list001=int_v_list00[1];
t2=t1*int_v_list001[0];
t1=int_v_W0-int_v_p340;
double*restrictxx int_v_list002=int_v_list00[2];
t3=t1*int_v_list002[0];
t4=int_v_p340-int_v_r30;
t5=t4*int_v_list001[0];
t6=t5+t3;
t3=int_v_W0-int_v_p120;
t5=t3*t6;
t7=t5+t2;
double***restrictxx int_v_list1=int_v_list(1);
double**restrictxx int_v_list11=int_v_list1[1];
double*restrictxx int_v_list110=int_v_list11[0];
int_v_list110[8]=t7;
t5=int_v_W2-int_v_p342;
t8=t5*int_v_list002[0];
t9=int_v_p342-int_v_r32;
t10=t9*int_v_list001[0];
t11=t10+t8;
t8=t3*t11;
int_v_list110[7]=t8;
t10=int_v_W1-int_v_p341;
t12=t10*int_v_list002[0];
t13=int_v_p341-int_v_r31;
t14=t13*int_v_list001[0];
t15=t14+t12;
t12=t3*t15;
int_v_list110[6]=t12;
t3=int_v_W2-int_v_p122;
t14=t3*t6;
int_v_list110[5]=t14;
t16=t3*t11;
t17=t2+t16;
int_v_list110[4]=t17;
t16=t3*t15;
int_v_list110[3]=t16;
t3=int_v_W1-int_v_p121;
t18=t6*t3;
int_v_list110[2]=t18;
t6=t3*t11;
int_v_list110[1]=t6;
t11=t3*t15;
t3=t2+t11;
int_v_list110[0]=t3;
t2=t1*int_v_list001[0];
double*restrictxx int_v_list000=int_v_list00[0];
t1=t4*int_v_list000[0];
t4=t1+t2;
double**restrictxx int_v_list01=int_v_list0[1];
double*restrictxx int_v_list010=int_v_list01[0];
int_v_list010[2]=t4;
t1=t5*int_v_list001[0];
t2=t9*int_v_list000[0];
t5=t2+t1;
int_v_list010[1]=t5;
t1=t10*int_v_list001[0];
t2=t13*int_v_list000[0];
t9=t2+t1;
int_v_list010[0]=t9;
return 1;}